N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine

C19H31NO — CID 63415910

IUPACN-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OCC)cc1)C1CCC(C)CC1
InChIInChI=1S/C19H31NO/c1-4-14-20-19(16-8-6-15(3)7-9-16)17-10-12-18(13-11-17)21-5-2/h10-13,15-16,19-20H,4-9,14H2,1-3H3
InChIKeyRDCLYDRTMWZSDW-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.95
Rot. Bonds7

About N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine

N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine (PubChem CID 63415910) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
PubChem CID63415910
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OCC)cc1)C1CCC(C)CC1
InChIInChI=1S/C19H31NO/c1-4-14-20-19(16-8-6-15(3)7-9-16)17-10-12-18(13-11-17)21-5-2/h10-13,15-16,19-20H,4-9,14H2,1-3H3
InChIKeyRDCLYDRTMWZSDW-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-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-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine
CID 43495185
[(4-ethoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233127
N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine
CID 107001090
N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
CID 114519278
N-[(4-ethoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]propan-1-amine
CID 115387279
N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43495188
N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65412981
N-[(4-ethoxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627828
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 104988004
[(4-ethoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232452
N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 104987951
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 62906368

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine (CID 63415910) is N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine is CCCNC(c1ccc(OCC)cc1)C1CCC(C)CC1.
What is the InChIKey of N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
The InChIKey is RDCLYDRTMWZSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-14-20-19(16-8-6-15(3)7-9-16)17-10-12-18(13-11-17)21-5-2/h10-13,15-16,19-20H,4-9,14H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 63415910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).