N-(2,2-dimethylcyclopentyl)-3-methoxyaniline

C14H21NO — CID 79864652

IUPACN-(2,2-dimethylcyclopentyl)-3-methoxyaniline
SMILESCOc1cccc(NC2CCCC2(C)C)c1
InChIInChI=1S/C14H21NO/c1-14(2)9-5-8-13(14)15-11-6-4-7-12(10-11)16-3/h4,6-7,10,13,15H,5,8-9H2,1-3H3
InChIKeyQLRKOQLFMBEMEG-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.69
Rot. Bonds3

About N-(2,2-dimethylcyclopentyl)-3-methoxyaniline

N-(2,2-dimethylcyclopentyl)-3-methoxyaniline (PubChem CID 79864652) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-3-methoxyaniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-3-methoxyaniline
PubChem CID79864652
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(2,2-dimethylcyclopentyl)-3-methoxyaniline
SMILESCOc1cccc(NC2CCCC2(C)C)c1
InChIInChI=1S/C14H21NO/c1-14(2)9-5-8-13(14)15-11-6-4-7-12(10-11)16-3/h4,6-7,10,13,15H,5,8-9H2,1-3H3
InChIKeyQLRKOQLFMBEMEG-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2-dimethylcyclopentyl)-3-methoxyaniline 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-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile
CID 79860485
3-chloro-N-(2,2-dimethylcyclopentyl)aniline
CID 79865179
(4S,4aS,8aR)-4-(3-methoxyanilino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 52912005
N-[3-[(2,2-dimethylcyclopentyl)amino]phenyl]acetamide
CID 79864740
N-(4,4-difluorocyclohexyl)-3-methoxyaniline
CID 171662901
N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline
CID 79834976
4-bromo-N-(2,2-dimethylcyclohexyl)-3-methoxyaniline
CID 82858064
N-[(6-methoxynaphthalen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866712
trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol
CID 93345904
3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline
CID 96923143
3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 79828479
N-(2,2-dimethylcyclobutyl)-3-fluoroaniline
CID 130532973

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-3-methoxyaniline?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-3-methoxyaniline (CID 79864652) is N-(2,2-dimethylcyclopentyl)-3-methoxyaniline.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-3-methoxyaniline?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-3-methoxyaniline is COc1cccc(NC2CCCC2(C)C)c1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-3-methoxyaniline?
The InChIKey is QLRKOQLFMBEMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2)9-5-8-13(14)15-11-6-4-7-12(10-11)16-3/h4,6-7,10,13,15H,5,8-9H2,1-3H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-3-methoxyaniline?
N-(2,2-dimethylcyclopentyl)-3-methoxyaniline has a molecular weight of 219.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-3-methoxyaniline is sourced from PubChem (CID 79864652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).