4-[(2R)-4-chloro-2,7-dimethyl-1,3-benzodioxol-2-yl]-N,N-dimethylcyclohexan-1-amine

C17H24ClNO2 — CID 169021894

IUPAC4-[(2R)-4-chloro-2,7-dimethyl-1,3-benzodioxol-2-yl]-N,N-dimethylcyclohexan-1-amine
SMILESCc1ccc(Cl)c2c1O[C@@](C)(C1CCC(N(C)C)CC1)O2
InChIInChI=1S/C17H24ClNO2/c1-11-5-10-14(18)16-15(11)20-17(2,21-16)12-6-8-13(9-7-12)19(3)4/h5,10,12-13H,6-9H2,1-4H3/t12?,13?,17-/m1/s1
InChIKeyYUGRYFUACMJGDO-QWQCLYJRSA-N
MW309.84 g/mol
LogP4.26
Rot. Bonds2

About 4-[(2R)-4-chloro-2,7-dimethyl-1,3-benzodioxol-2-yl]-N,N-dimethylcyclohexan-1-amine

4-[(2R)-4-chloro-2,7-dimethyl-1,3-benzodioxol-2-yl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 169021894) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 4-[(2R)-4-chloro-2,7-dimethyl-1,3-benzodioxol-2-yl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2R)-4-chloro-2,7-dimethyl-1,3-benzodioxol-2-yl]-N,N-dimethylcyclohexan-1-amine
PubChem CID169021894
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name4-[(2R)-4-chloro-2,7-dimethyl-1,3-benzodioxol-2-yl]-N,N-dimethylcyclohexan-1-amine
SMILESCc1ccc(Cl)c2c1O[C@@](C)(C1CCC(N(C)C)CC1)O2
InChIInChI=1S/C17H24ClNO2/c1-11-5-10-14(18)16-15(11)20-17(2,21-16)12-6-8-13(9-7-12)19(3)4/h5,10,12-13H,6-9H2,1-4H3/t12?,13?,17-/m1/s1
InChIKeyYUGRYFUACMJGDO-QWQCLYJRSA-N
XLogP4.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2R)-4-chloro-2,7-dimethyl-1,3-benzodioxol-2-yl]-N,N-dimethylcyclohexan-1-amine with MolForge

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Related Compounds

(2R)-7-chloro-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylic acid;hydrochloride
CID 162436381
(2R)-7-chloro-2-[4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;methanesulfonic acid
CID 126481889
4-[[[(2R)-7-chloro-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carbonyl]-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]amino]methyl]benzenesulfonic acid
CID 155779459
2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one
CID 155753251
(2R)-7-chloro-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 146200909
(2R)-7-chloro-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-N-[(2-methyl-4-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 146200910
(2S)-2-[4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4,7-trimethyl-1,3-benzodioxole-5-carboxamide
CID 126481769
(2R)-7-chloro-N-[(6-chloro-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;bis((2R)-7-chloro-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide)
CID 161097150
methyl 6-bromo-2-[4-(dimethylamino)cyclohexyl]-7-methoxy-2,4-dimethyl-1,3-benzodioxole-5-carboxylate
CID 175964032
5-chloro-8-methyl-3,4-dihydro-2H-chromene-4-thiol
CID 130774940
3-(aminomethyl)-6-chloro-4-methylsulfanyl-1H-pyridin-2-one;(2R)-7-chloro-N-[(6-chloro-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;(2R)-7-chloro-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylic acid;hydrochloride
CID 158311834
(4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 78961328

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-4-chloro-2,7-dimethyl-1,3-benzodioxol-2-yl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 4-[(2R)-4-chloro-2,7-dimethyl-1,3-benzodioxol-2-yl]-N,N-dimethylcyclohexan-1-amine (CID 169021894) is 4-[(2R)-4-chloro-2,7-dimethyl-1,3-benzodioxol-2-yl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[(2R)-4-chloro-2,7-dimethyl-1,3-benzodioxol-2-yl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-[(2R)-4-chloro-2,7-dimethyl-1,3-benzodioxol-2-yl]-N,N-dimethylcyclohexan-1-amine is Cc1ccc(Cl)c2c1O[C@@](C)(C1CCC(N(C)C)CC1)O2.
What is the InChIKey of 4-[(2R)-4-chloro-2,7-dimethyl-1,3-benzodioxol-2-yl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is YUGRYFUACMJGDO-QWQCLYJRSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-11-5-10-14(18)16-15(11)20-17(2,21-16)12-6-8-13(9-7-12)19(3)4/h5,10,12-13H,6-9H2,1-4H3/t12?,13?,17-/m1/s1.
What are the key properties of 4-[(2R)-4-chloro-2,7-dimethyl-1,3-benzodioxol-2-yl]-N,N-dimethylcyclohexan-1-amine?
4-[(2R)-4-chloro-2,7-dimethyl-1,3-benzodioxol-2-yl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 309.84 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-4-chloro-2,7-dimethyl-1,3-benzodioxol-2-yl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 169021894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).