N-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline

C20H25NO — CID 39405460

IUPACN-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline
SMILESCc1ccc(NCc2ccccc2OC2CCCC2)cc1C
InChIInChI=1S/C20H25NO/c1-15-11-12-18(13-16(15)2)21-14-17-7-3-6-10-20(17)22-19-8-4-5-9-19/h3,6-7,10-13,19,21H,4-5,8-9,14H2,1-2H3
InChIKeyWNZAGONRGDPIRB-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.24
Rot. Bonds5

About N-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline

N-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline (PubChem CID 39405460) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline
PubChem CID39405460
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline
SMILESCc1ccc(NCc2ccccc2OC2CCCC2)cc1C
InChIInChI=1S/C20H25NO/c1-15-11-12-18(13-16(15)2)21-14-17-7-3-6-10-20(17)22-19-8-4-5-9-19/h3,6-7,10-13,19,21H,4-5,8-9,14H2,1-2H3
InChIKeyWNZAGONRGDPIRB-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline 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-cyclopentyloxyphenyl)methyl]aniline
CID 39366714
N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline
CID 39381668
N-[(2-cyclobutyloxyphenyl)methyl]-3-methylsulfonyl-4-nitroaniline
CID 133402069
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 82927515
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline
CID 78883616
N-(cyclohexylmethyl)-3,4-dimethylaniline
CID 18778522
N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969677
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3,4-dimethylaniline
CID 43583469
1-tert-butyl-3-[(2-cyclopentyloxyphenyl)methyl]-2-methylguanidine
CID 110964191
1-cyclopentyloxy-2-(2-methylpropyl)benzene
CID 142580992

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline?
The IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline (CID 39405460) is N-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline?
The canonical SMILES for N-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline is Cc1ccc(NCc2ccccc2OC2CCCC2)cc1C.
What is the InChIKey of N-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline?
The InChIKey is WNZAGONRGDPIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-15-11-12-18(13-16(15)2)21-14-17-7-3-6-10-20(17)22-19-8-4-5-9-19/h3,6-7,10-13,19,21H,4-5,8-9,14H2,1-2H3.
What are the key properties of N-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline?
N-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline has a molecular weight of 295.43 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline is sourced from PubChem (CID 39405460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).