N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline

C17H25NO — CID 64624416

IUPACN-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline
SMILESCOc1ccc(NC2CCCC(C3CC3)C2)cc1C
InChIInChI=1S/C17H25NO/c1-12-10-16(8-9-17(12)19-2)18-15-5-3-4-14(11-15)13-6-7-13/h8-10,13-15,18H,3-7,11H2,1-2H3
InChIKeyBWMMVUNIYRLAKW-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.38
Rot. Bonds4

About N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline

N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline (PubChem CID 64624416) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline.

Molecular Properties

Compound NameN-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline
PubChem CID64624416
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline
SMILESCOc1ccc(NC2CCCC(C3CC3)C2)cc1C
InChIInChI=1S/C17H25NO/c1-12-10-16(8-9-17(12)19-2)18-15-5-3-4-14(11-15)13-6-7-13/h8-10,13-15,18H,3-7,11H2,1-2H3
InChIKeyBWMMVUNIYRLAKW-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline 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-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091463
N-(4-methoxy-3-methylphenyl)-1-oxothian-4-amine
CID 54981489
N-cyclobutyl-4-ethoxy-3-methylaniline
CID 115884846
N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline
CID 113483426
N-(3-cyclopropylcyclohexyl)-4-methoxy-2-methylaniline
CID 64624422
4-methoxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998881
N-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466833
1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
CID 115617939
4-[(3-cyclopropylcyclohexyl)amino]-3-methoxybenzonitrile
CID 104848126
3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline
CID 64594247
3-bromo-N-cyclopentyl-4-methoxyaniline
CID 63999867
methyl 5-[(3-cyclopropylcyclohexyl)amino]-2-fluorobenzoate
CID 64596414

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline?
The IUPAC name of N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline (CID 64624416) is N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline.
What is the SMILES notation for N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline?
The canonical SMILES for N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline is COc1ccc(NC2CCCC(C3CC3)C2)cc1C.
What is the InChIKey of N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline?
The InChIKey is BWMMVUNIYRLAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-10-16(8-9-17(12)19-2)18-15-5-3-4-14(11-15)13-6-7-13/h8-10,13-15,18H,3-7,11H2,1-2H3.
What are the key properties of N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline?
N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline has a molecular weight of 259.39 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline is sourced from PubChem (CID 64624416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).