1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine

C17H27NO — CID 61342285

IUPAC1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine
SMILESCc1cc(CC(C)N)cc(C)c1OCC1CCCC1
InChIInChI=1S/C17H27NO/c1-12-8-16(10-14(3)18)9-13(2)17(12)19-11-15-6-4-5-7-15/h8-9,14-15H,4-7,10-11,18H2,1-3H3
InChIKeyHJZPRTKBAAXEPU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.76
Rot. Bonds5

About 1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine

1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine (PubChem CID 61342285) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine
PubChem CID61342285
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine
SMILESCc1cc(CC(C)N)cc(C)c1OCC1CCCC1
InChIInChI=1S/C17H27NO/c1-12-8-16(10-14(3)18)9-13(2)17(12)19-11-15-6-4-5-7-15/h8-9,14-15H,4-7,10-11,18H2,1-3H3
InChIKeyHJZPRTKBAAXEPU-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine?
The IUPAC name of 1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine (CID 61342285) is 1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine is Cc1cc(CC(C)N)cc(C)c1OCC1CCCC1.
What is the InChIKey of 1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine?
The InChIKey is HJZPRTKBAAXEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-8-16(10-14(3)18)9-13(2)17(12)19-11-15-6-4-5-7-15/h8-9,14-15H,4-7,10-11,18H2,1-3H3.
What are the key properties of 1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine?
1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine is sourced from PubChem (CID 61342285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).