N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine

C19H30ClN — CID 81033962

IUPACN-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCCC1Cc1cccc(Cl)c1
InChIInChI=1S/C19H30ClN/c1-15(2)13-21-14-18-9-5-3-4-8-17(18)11-16-7-6-10-19(20)12-16/h6-7,10,12,15,17-18,21H,3-5,8-9,11,13-14H2,1-2H3
InChIKeyKJGHTGYJOOGDHT-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.32
Rot. Bonds6

About N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine

N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine (PubChem CID 81033962) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
PubChem CID81033962
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC NameN-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCCC1Cc1cccc(Cl)c1
InChIInChI=1S/C19H30ClN/c1-15(2)13-21-14-18-9-5-3-4-8-17(18)11-16-7-6-10-19(20)12-16/h6-7,10,12,15,17-18,21H,3-5,8-9,11,13-14H2,1-2H3
InChIKeyKJGHTGYJOOGDHT-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028348
N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
CID 81028227
2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81025637
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027303
2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81027821
1-[(2-bromocyclohexyl)methyl]-3-chlorobenzene
CID 63471819
2-methyl-N-[[2-(pyridin-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 104737366
N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027865
N-[[2-[(5-bromo-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81028553
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023967
N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81029934
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 103042344

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine (CID 81033962) is N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCCCC1Cc1cccc(Cl)c1.
What is the InChIKey of N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine?
The InChIKey is KJGHTGYJOOGDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-15(2)13-21-14-18-9-5-3-4-8-17(18)11-16-7-6-10-19(20)12-16/h6-7,10,12,15,17-18,21H,3-5,8-9,11,13-14H2,1-2H3.
What are the key properties of N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine?
N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine has a molecular weight of 307.91 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81033962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).