N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine

C17H28N2O — CID 62018368

IUPACN-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine
SMILESCOc1ccc(CN)cc1CN(C)CC1CCCCC1
InChIInChI=1S/C17H28N2O/c1-19(12-14-6-4-3-5-7-14)13-16-10-15(11-18)8-9-17(16)20-2/h8-10,14H,3-7,11-13,18H2,1-2H3
InChIKeyOPNJNBILUVEKCS-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.17
Rot. Bonds6

About N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine

N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine (PubChem CID 62018368) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine
PubChem CID62018368
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine
SMILESCOc1ccc(CN)cc1CN(C)CC1CCCCC1
InChIInChI=1S/C17H28N2O/c1-19(12-14-6-4-3-5-7-14)13-16-10-15(11-18)8-9-17(16)20-2/h8-10,14H,3-7,11-13,18H2,1-2H3
InChIKeyOPNJNBILUVEKCS-UHFFFAOYSA-N
XLogP3.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine 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-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65338383
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63726480
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 61445030
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline
CID 62861974
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 65338284
1-cyclopropyl-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylmethanamine
CID 62017230
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 62017800
[3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine
CID 64626991
3-[3-[[cyclopentylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 63631805
[4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol
CID 63711599
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxybenzoic acid
CID 62861744

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine?
The IUPAC name of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine (CID 62018368) is N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine?
The canonical SMILES for N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine is COc1ccc(CN)cc1CN(C)CC1CCCCC1.
What is the InChIKey of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine?
The InChIKey is OPNJNBILUVEKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(12-14-6-4-3-5-7-14)13-16-10-15(11-18)8-9-17(16)20-2/h8-10,14H,3-7,11-13,18H2,1-2H3.
What are the key properties of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine?
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine is sourced from PubChem (CID 62018368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).