2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol

C15H22ClNO2 — CID 83066805

IUPAC2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NC1c2cc(Cl)ccc2CC1(C)C
InChIInChI=1S/C15H22ClNO2/c1-14(2)7-10-4-5-11(16)6-12(10)13(14)17-15(3,8-18)9-19/h4-6,13,17-19H,7-9H2,1-3H3
InChIKeyPCAKXZKSNSXIMR-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.30
Rot. Bonds4

About 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol

2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol (PubChem CID 83066805) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol
PubChem CID83066805
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NC1c2cc(Cl)ccc2CC1(C)C
InChIInChI=1S/C15H22ClNO2/c1-14(2)7-10-4-5-11(16)6-12(10)13(14)17-15(3,8-18)9-19/h4-6,13,17-19H,7-9H2,1-3H3
InChIKeyPCAKXZKSNSXIMR-UHFFFAOYSA-N
XLogP2.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol with MolForge

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Related Compounds

3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol
CID 83067295
1-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106249390
6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 113464540
4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol
CID 106125007
6-chloro-N-(dicyclopropylmethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83066943
N-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83065922
6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 107631566
N-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83065761
6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83067455
6-chloro-2,2-dimethyl-N-pent-1-yn-3-yl-1,3-dihydroinden-1-amine
CID 114160530
6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine
CID 83067581
N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-ethylpiperidin-4-amine
CID 83066102

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol (CID 83066805) is 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol is CC(CO)(CO)NC1c2cc(Cl)ccc2CC1(C)C.
What is the InChIKey of 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol?
The InChIKey is PCAKXZKSNSXIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-14(2)7-10-4-5-11(16)6-12(10)13(14)17-15(3,8-18)9-19/h4-6,13,17-19H,7-9H2,1-3H3.
What are the key properties of 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol?
2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol has a molecular weight of 283.80 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol is sourced from PubChem (CID 83066805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).