[1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine

C17H24ClNO — CID 117474122

IUPAC[1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine
SMILESCOc1c(Cl)cc2c(c1C1(CN)CCCC1)CCCC2
InChIInChI=1S/C17H24ClNO/c1-20-16-14(18)10-12-6-2-3-7-13(12)15(16)17(11-19)8-4-5-9-17/h10H,2-9,11,19H2,1H3
InChIKeyHZERCOIZKORUFR-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.00
Rot. Bonds3

About [1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine

[1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine (PubChem CID 117474122) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is [1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine
PubChem CID117474122
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name[1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine
SMILESCOc1c(Cl)cc2c(c1C1(CN)CCCC1)CCCC2
InChIInChI=1S/C17H24ClNO/c1-20-16-14(18)10-12-6-2-3-7-13(12)15(16)17(11-19)8-4-5-9-17/h10H,2-9,11,19H2,1H3
InChIKeyHZERCOIZKORUFR-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine
CID 117448992
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529
[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815
[1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117423426
[1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117397976
[1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine
CID 117492816
[1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclobutyl]methanamine
CID 117334912
1-[(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]cyclopropan-1-ol
CID 117420830
[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 84790715
[1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117441379
[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine
CID 117460449
[1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine
CID 117495126

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine (CID 117474122) is [1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine is COc1c(Cl)cc2c(c1C1(CN)CCCC1)CCCC2.
What is the InChIKey of [1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine?
The InChIKey is HZERCOIZKORUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-20-16-14(18)10-12-6-2-3-7-13(12)15(16)17(11-19)8-4-5-9-17/h10H,2-9,11,19H2,1H3.
What are the key properties of [1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine?
[1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine has a molecular weight of 293.84 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine is sourced from PubChem (CID 117474122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).