[1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine

C18H26ClNO — CID 117492816

IUPAC[1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine
SMILESCOc1c(Cl)cc(C2(CN)CCCC2)cc1C1CCCC1
InChIInChI=1S/C18H26ClNO/c1-21-17-15(13-6-2-3-7-13)10-14(11-16(17)19)18(12-20)8-4-5-9-18/h10-11,13H,2-9,12,20H2,1H3
InChIKeyXLJONILGNSOCGL-UHFFFAOYSA-N
MW307.87 g/mol
LogP4.78
Rot. Bonds4

About [1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine

[1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine (PubChem CID 117492816) has the molecular formula C18H26ClNO and a molecular weight of 307.87 g/mol. Its IUPAC name is [1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine
PubChem CID117492816
Molecular FormulaC18H26ClNO
Molecular Weight307.87 g/mol
Exact Mass307.17
IUPAC Name[1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine
SMILESCOc1c(Cl)cc(C2(CN)CCCC2)cc1C1CCCC1
InChIInChI=1S/C18H26ClNO/c1-21-17-15(13-6-2-3-7-13)10-14(11-16(17)19)18(12-20)8-4-5-9-18/h10-11,13H,2-9,12,20H2,1H3
InChIKeyXLJONILGNSOCGL-UHFFFAOYSA-N
XLogP4.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 84790715
[1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine
CID 117474122
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529
1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine
CID 117427939
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
3-amino-1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-one
CID 117452638
[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
CID 82026903
[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815
[1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117479564
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol
CID 117425608
4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol
CID 84800194

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine (CID 117492816) is [1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine is COc1c(Cl)cc(C2(CN)CCCC2)cc1C1CCCC1.
What is the InChIKey of [1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine?
The InChIKey is XLJONILGNSOCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-21-17-15(13-6-2-3-7-13)10-14(11-16(17)19)18(12-20)8-4-5-9-18/h10-11,13H,2-9,12,20H2,1H3.
What are the key properties of [1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine?
[1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine has a molecular weight of 307.87 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117492816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).