2-(4-benzylphenoxy)cyclopentan-1-amine

C18H21NO — CID 62274386

IUPAC2-(4-benzylphenoxy)cyclopentan-1-amine
SMILESNC1CCCC1Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H21NO/c19-17-7-4-8-18(17)20-16-11-9-15(10-12-16)13-14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18H,4,7-8,13,19H2
InChIKeyAQZQPQKMHRKFFN-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.54
Rot. Bonds4

About 2-(4-benzylphenoxy)cyclopentan-1-amine

2-(4-benzylphenoxy)cyclopentan-1-amine (PubChem CID 62274386) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(4-benzylphenoxy)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(4-benzylphenoxy)cyclopentan-1-amine
PubChem CID62274386
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-(4-benzylphenoxy)cyclopentan-1-amine
SMILESNC1CCCC1Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H21NO/c19-17-7-4-8-18(17)20-16-11-9-15(10-12-16)13-14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18H,4,7-8,13,19H2
InChIKeyAQZQPQKMHRKFFN-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-benzylphenoxy)cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-phenylphenoxy)cycloheptan-1-amine
CID 43591607
trans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride
CID 67574078
cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine
CID 67193636
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
2-(2-phenylethoxy)cyclopentan-1-amine
CID 43127941
2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine
CID 83488188
2-(4-pyridin-2-ylphenoxy)cyclopentan-1-amine
CID 117051665
2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine
CID 43100661
2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine
CID 18969682
4-(4-benzylphenoxy)oxane
CID 142700383
3-(4-benzylphenoxy)cyclohexan-1-ol
CID 79599479
N-methyl-2-(4-phenylmethoxyphenoxy)cyclopentan-1-amine;hydrochloride
CID 18969696

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylphenoxy)cyclopentan-1-amine?
The IUPAC name of 2-(4-benzylphenoxy)cyclopentan-1-amine (CID 62274386) is 2-(4-benzylphenoxy)cyclopentan-1-amine.
What is the SMILES notation for 2-(4-benzylphenoxy)cyclopentan-1-amine?
The canonical SMILES for 2-(4-benzylphenoxy)cyclopentan-1-amine is NC1CCCC1Oc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 2-(4-benzylphenoxy)cyclopentan-1-amine?
The InChIKey is AQZQPQKMHRKFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c19-17-7-4-8-18(17)20-16-11-9-15(10-12-16)13-14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18H,4,7-8,13,19H2.
What are the key properties of 2-(4-benzylphenoxy)cyclopentan-1-amine?
2-(4-benzylphenoxy)cyclopentan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphenoxy)cyclopentan-1-amine is sourced from PubChem (CID 62274386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).