1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine

C17H24ClNO2 — CID 117494437

IUPAC1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
SMILESCOc1cc(Cl)cc(C2(N)CCCC2)c1OC1CCCC1
InChIInChI=1S/C17H24ClNO2/c1-20-15-11-12(18)10-14(17(19)8-4-5-9-17)16(15)21-13-6-2-3-7-13/h10-11,13H,2-9,19H2,1H3
InChIKeyLEIBTTXLLMFUFH-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.40
Rot. Bonds4

About 1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine

1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine (PubChem CID 117494437) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
PubChem CID117494437
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
SMILESCOc1cc(Cl)cc(C2(N)CCCC2)c1OC1CCCC1
InChIInChI=1S/C17H24ClNO2/c1-20-15-11-12(18)10-14(17(19)8-4-5-9-17)16(15)21-13-6-2-3-7-13/h10-11,13H,2-9,19H2,1H3
InChIKeyLEIBTTXLLMFUFH-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-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine
CID 117476614
1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine
CID 117478270
1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopropan-1-ol
CID 117454602
[1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117476564
5-chloro-2-cyclopentyloxy-1-(1-isocyanatocyclopropyl)-3-methoxybenzene
CID 117492686
5-chloro-2-cyclopropyloxy-1-(1-isocyanatocyclopentyl)-3-methoxybenzene
CID 117492677
1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117494434
5-chloro-2-cyclobutyloxy-3-methoxyphenol
CID 84692205
1-(5-chloro-2-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117324614
O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 117397784
5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid
CID 113438795
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine (CID 117494437) is 1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine is COc1cc(Cl)cc(C2(N)CCCC2)c1OC1CCCC1.
What is the InChIKey of 1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine?
The InChIKey is LEIBTTXLLMFUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-20-15-11-12(18)10-14(17(19)8-4-5-9-17)16(15)21-13-6-2-3-7-13/h10-11,13H,2-9,19H2,1H3.
What are the key properties of 1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine?
1-(5-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-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117494437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).