4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine

C17H28N2O — CID 63676721

IUPAC4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(NCC2CCC(C)CC2)ccc1N
InChIInChI=1S/C17H28N2O/c1-3-10-20-17-11-15(8-9-16(17)18)19-12-14-6-4-13(2)5-7-14/h8-9,11,13-14,19H,3-7,10,12,18H2,1-2H3
InChIKeyORWKGWLXVQNJKR-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.30
Rot. Bonds6

About 4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine

4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine (PubChem CID 63676721) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine
PubChem CID63676721
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(NCC2CCC(C)CC2)ccc1N
InChIInChI=1S/C17H28N2O/c1-3-10-20-17-11-15(8-9-16(17)18)19-12-14-6-4-13(2)5-7-14/h8-9,11,13-14,19H,3-7,10,12,18H2,1-2H3
InChIKeyORWKGWLXVQNJKR-UHFFFAOYSA-N
XLogP4.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine 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

4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine
CID 114174133
4-N-(2-methylsulfanylethyl)-2-propoxybenzene-1,4-diamine
CID 63983761
methyl 2-(4-amino-3-propoxyanilino)acetate
CID 63671618
4-(4-amino-3-propoxyanilino)butan-2-ol
CID 64928452
4-N-[(4-chlorophenyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63671606
3-N-[(3-methylcyclopentyl)methyl]-5-propoxybenzene-1,3-diamine
CID 107411332
4-N-[2-(azepan-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
CID 63669842
4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine
CID 114543414
4-N-phenyl-2-propoxybenzene-1,4-diamine
CID 55233336
methyl 3-(4-amino-3-propoxyanilino)propanoate
CID 55232749
4-(4-amino-3-propoxyanilino)butanamide
CID 63671493
2-propoxy-4-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 63677568

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine?
The IUPAC name of 4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine (CID 63676721) is 4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine is CCCOc1cc(NCC2CCC(C)CC2)ccc1N.
What is the InChIKey of 4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine?
The InChIKey is ORWKGWLXVQNJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-10-20-17-11-15(8-9-16(17)18)19-12-14-6-4-13(2)5-7-14/h8-9,11,13-14,19H,3-7,10,12,18H2,1-2H3.
What are the key properties of 4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine?
4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine has a molecular weight of 276.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methylcyclohexyl)methyl]-2-propoxybenzene-1,4-diamine is sourced from PubChem (CID 63676721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).