N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine

C17H28N2 — CID 105346608

IUPACN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine
SMILESCC(CN)c1ccc(CN(C)C2CCCCC2)cc1
InChIInChI=1S/C17H28N2/c1-14(12-18)16-10-8-15(9-11-16)13-19(2)17-6-4-3-5-7-17/h8-11,14,17H,3-7,12-13,18H2,1-2H3
InChIKeyQPGAKFZCXOQCBF-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.51
Rot. Bonds5

About N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine

N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine (PubChem CID 105346608) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine
PubChem CID105346608
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine
SMILESCC(CN)c1ccc(CN(C)C2CCCCC2)cc1
InChIInChI=1S/C17H28N2/c1-14(12-18)16-10-8-15(9-11-16)13-19(2)17-6-4-3-5-7-17/h8-11,14,17H,3-7,12-13,18H2,1-2H3
InChIKeyQPGAKFZCXOQCBF-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine 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-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 105347432
2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine
CID 105347161
ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
CID 143603209
CID 174466109
CID 174466109
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine
CID 105347297
N-methyl-N-[(4-trimethylsilylphenyl)methyl]cycloheptanamine
CID 103438311
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62424446
N-methyl-N-[(4-trimethylsilylphenyl)methyl]cyclohexanamine
CID 103438253
2-(4-cyclobutylphenyl)propan-1-amine
CID 116507054
4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
CID 166523994
4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline
CID 104501405
N-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine
CID 84754933

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine (CID 105346608) is N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine is CC(CN)c1ccc(CN(C)C2CCCCC2)cc1.
What is the InChIKey of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine?
The InChIKey is QPGAKFZCXOQCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(12-18)16-10-8-15(9-11-16)13-19(2)17-6-4-3-5-7-17/h8-11,14,17H,3-7,12-13,18H2,1-2H3.
What are the key properties of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine?
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine has a molecular weight of 260.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine is sourced from PubChem (CID 105346608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).