trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine

C14H21NO — CID 94605675

IUPACtrans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine
SMILESCC(C)Oc1ccc([C@@H]2CCC[C@H]2N)cc1
InChIInChI=1S/C14H21NO/c1-10(2)16-12-8-6-11(7-9-12)13-4-3-5-14(13)15/h6-10,13-14H,3-5,15H2,1-2H3/t13-,14+/m0/s1
InChIKeyOGLPMUZEQSBRQN-UONOGXRCSA-N
MW219.33 g/mol
LogP3.07
Rot. Bonds3

About trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine

trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine (PubChem CID 94605675) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine
PubChem CID94605675
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nametrans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine
SMILESCC(C)Oc1ccc([C@@H]2CCC[C@H]2N)cc1
InChIInChI=1S/C14H21NO/c1-10(2)16-12-8-6-11(7-9-12)13-4-3-5-14(13)15/h6-10,13-14H,3-5,15H2,1-2H3/t13-,14+/m0/s1
InChIKeyOGLPMUZEQSBRQN-UONOGXRCSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)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-ethoxyphenyl)cyclohexan-1-amine
CID 62800786
[(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate
CID 57192072
[4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine
CID 81012063
(1R)-2-(4-fluorophenyl)cyclopentan-1-amine
CID 70223067
cis-(1R,2R)-2-(4-chlorophenyl)cyclopentan-1-amine
CID 11095547
2-(4-ethylphenyl)cyclopentan-1-amine
CID 62605664
1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine
CID 115117506
1-(3-bromo-2-methylcyclopentyl)-4-propan-2-yloxybenzene
CID 64910125
2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine
CID 62718142
(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
CID 66518885
2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 21190507
(2R)-2-(4-propan-2-yloxyphenyl)oxirane
CID 30071232

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine?
The IUPAC name of trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine (CID 94605675) is trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine is CC(C)Oc1ccc([C@@H]2CCC[C@H]2N)cc1.
What is the InChIKey of trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine?
The InChIKey is OGLPMUZEQSBRQN-UONOGXRCSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)16-12-8-6-11(7-9-12)13-4-3-5-14(13)15/h6-10,13-14H,3-5,15H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine?
trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine is sourced from PubChem (CID 94605675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).