1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine

C17H24ClNO2 — CID 117494434

IUPAC1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
SMILESCOc1ccc(Cl)c(C2(N)CCCC2)c1OC1CCCC1
InChIInChI=1S/C17H24ClNO2/c1-20-14-9-8-13(18)15(17(19)10-4-5-11-17)16(14)21-12-6-2-3-7-12/h8-9,12H,2-7,10-11,19H2,1H3
InChIKeyJCCDSKGRBSGSTM-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.40
Rot. Bonds4

About 1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine

1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine (PubChem CID 117494434) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
PubChem CID117494434
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
SMILESCOc1ccc(Cl)c(C2(N)CCCC2)c1OC1CCCC1
InChIInChI=1S/C17H24ClNO2/c1-20-14-9-8-13(18)15(17(19)10-4-5-11-17)16(14)21-12-6-2-3-7-12/h8-9,12H,2-7,10-11,19H2,1H3
InChIKeyJCCDSKGRBSGSTM-UHFFFAOYSA-N
XLogP4.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-2,3-dimethoxyphenyl)cyclobutan-1-amine
CID 117356551
1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117494437
1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine
CID 117327759
2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 117460411
1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine
CID 117476614
N-[2-(1-aminocyclopentyl)-3-chloro-6-methoxyphenyl]acetamide
CID 117454668
2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117481112
2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-N-methylethanamine
CID 117456580
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117412880
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117427606
2-cyclopentyloxy-3,4-dimethoxybenzonitrile
CID 18470646

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine (CID 117494434) is 1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine is COc1ccc(Cl)c(C2(N)CCCC2)c1OC1CCCC1.
What is the InChIKey of 1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine?
The InChIKey is JCCDSKGRBSGSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-20-14-9-8-13(18)15(17(19)10-4-5-11-17)16(14)21-12-6-2-3-7-12/h8-9,12H,2-7,10-11,19H2,1H3.
What are the key properties of 1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine?
1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine has a molecular weight of 309.84 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117494434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).