1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine

C16H22ClNO — CID 117449191

IUPAC1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine
SMILESCOc1c(C2(N)CCCCC2)cc2c(c1Cl)CCC2
InChIInChI=1S/C16H22ClNO/c1-19-15-13(16(18)8-3-2-4-9-16)10-11-6-5-7-12(11)14(15)17/h10H,2-9,18H2,1H3
InChIKeyYCJZZIXWQRKQKD-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.96
Rot. Bonds2

About 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine

1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine (PubChem CID 117449191) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine
PubChem CID117449191
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine
SMILESCOc1c(C2(N)CCCCC2)cc2c(c1Cl)CCC2
InChIInChI=1S/C16H22ClNO/c1-19-15-13(16(18)8-3-2-4-9-16)10-11-6-5-7-12(11)14(15)17/h10H,2-9,18H2,1H3
InChIKeyYCJZZIXWQRKQKD-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-(1-isocyanatocyclopentyl)-5-methoxy-2,3-dihydro-1H-indene
CID 117471230
1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine
CID 117448992
1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclohexan-1-amine
CID 117441374
1-(5-chloro-2-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117324614
1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330
4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carbonitrile
CID 117343961
4-(1-aminocyclopropyl)-2-chloro-3-methoxy-6-methylphenol
CID 84791831
O-[(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)methyl]hydroxylamine
CID 117392802
1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84802916
1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone
CID 84689437
2-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 117390078
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine
CID 117437091

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine?
The IUPAC name of 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine (CID 117449191) is 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine is COc1c(C2(N)CCCCC2)cc2c(c1Cl)CCC2.
What is the InChIKey of 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine?
The InChIKey is YCJZZIXWQRKQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-19-15-13(16(18)8-3-2-4-9-16)10-11-6-5-7-12(11)14(15)17/h10H,2-9,18H2,1H3.
What are the key properties of 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine?
1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine has a molecular weight of 279.81 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 117449191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).