1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine

C16H22ClNO — CID 117448992

IUPAC1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine
SMILESCOc1c(Cl)cc2c(c1C1(N)CCCC1)CCCC2
InChIInChI=1S/C16H22ClNO/c1-19-15-13(17)10-11-6-2-3-7-12(11)14(15)16(18)8-4-5-9-16/h10H,2-9,18H2,1H3
InChIKeyUIUGGBUYDGOTFO-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.96
Rot. Bonds2

About 1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine

1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine (PubChem CID 117448992) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine
PubChem CID117448992
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine
SMILESCOc1c(Cl)cc2c(c1C1(N)CCCC1)CCCC2
InChIInChI=1S/C16H22ClNO/c1-19-15-13(17)10-11-6-2-3-7-12(11)14(15)16(18)8-4-5-9-16/h10H,2-9,18H2,1H3
InChIKeyUIUGGBUYDGOTFO-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

[1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine
CID 117474122
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
CID 117388025
1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine
CID 117449191
4-(1-aminocyclopropyl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117382858
1-[(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]cyclopropan-1-ol
CID 117420830
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine
CID 84801185
1-[(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol
CID 117450858
1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117427606
2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol
CID 117392843
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine
CID 117456401
1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine
CID 117432494
2-amino-2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanol
CID 117427965

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine?
The IUPAC name of 1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine (CID 117448992) is 1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine is COc1c(Cl)cc2c(c1C1(N)CCCC1)CCCC2.
What is the InChIKey of 1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine?
The InChIKey is UIUGGBUYDGOTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-19-15-13(17)10-11-6-2-3-7-12(11)14(15)16(18)8-4-5-9-16/h10H,2-9,18H2,1H3.
What are the key properties of 1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine?
1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-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-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine is sourced from PubChem (CID 117448992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).