N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine

C16H25NO — CID 55204170

IUPACN-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine
SMILESCc1ccc(OC2CCCC2)c(CNC(C)C)c1
InChIInChI=1S/C16H25NO/c1-12(2)17-11-14-10-13(3)8-9-16(14)18-15-6-4-5-7-15/h8-10,12,15,17H,4-7,11H2,1-3H3
InChIKeyQTEFAFSNOSYUFR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.81
Rot. Bonds5

About N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine

N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine (PubChem CID 55204170) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine
PubChem CID55204170
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine
SMILESCc1ccc(OC2CCCC2)c(CNC(C)C)c1
InChIInChI=1S/C16H25NO/c1-12(2)17-11-14-10-13(3)8-9-16(14)18-15-6-4-5-7-15/h8-10,12,15,17H,4-7,11H2,1-3H3
InChIKeyQTEFAFSNOSYUFR-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-cyclopentyloxy-5-methylphenyl)methyl]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

Related Compounds

N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 82927515
3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]azepan-2-one
CID 63327046
(2-cyclobutyloxy-5-methylphenyl)methanol
CID 84664151
O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine
CID 117296439
N-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 107696193
N-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 103133215
N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63486234
N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134235
1-(2-cyclopentyloxy-4-methylphenyl)ethanol
CID 63650282
N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-1-pyrazin-2-ylethanamine
CID 75428647
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine
CID 81105702
N-[[2-(4-methoxybutoxy)-5-methylphenyl]methyl]propan-2-amine
CID 104647081

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine (CID 55204170) is N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine is Cc1ccc(OC2CCCC2)c(CNC(C)C)c1.
What is the InChIKey of N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine?
The InChIKey is QTEFAFSNOSYUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)17-11-14-10-13(3)8-9-16(14)18-15-6-4-5-7-15/h8-10,12,15,17H,4-7,11H2,1-3H3.
What are the key properties of N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine?
N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 55204170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).