N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine

C17H28N2O — CID 106785394

IUPACN-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCOc1cc(CN(C)C2CCCCC2C)ccc1CN
InChIInChI=1S/C17H28N2O/c1-13-6-4-5-7-16(13)19(2)12-14-8-9-15(11-18)17(10-14)20-3/h8-10,13,16H,4-7,11-12,18H2,1-3H3
InChIKeyYHMFVLJUQAVADS-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.16
Rot. Bonds5

About N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine

N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 106785394) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID106785394
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCOc1cc(CN(C)C2CCCCC2C)ccc1CN
InChIInChI=1S/C17H28N2O/c1-13-6-4-5-7-16(13)19(2)12-14-8-9-15(11-18)17(10-14)20-3/h8-10,13,16H,4-7,11-12,18H2,1-3H3
InChIKeyYHMFVLJUQAVADS-UHFFFAOYSA-N
XLogP3.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline
CID 55000180
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 64770644
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 62018739
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55192223
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 106785333
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637367
N-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine
CID 84754933
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 106785505
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline
CID 106785439
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline
CID 106785440
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65338383
[4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785236

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine (CID 106785394) is N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine is COc1cc(CN(C)C2CCCCC2C)ccc1CN.
What is the InChIKey of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is YHMFVLJUQAVADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-6-4-5-7-16(13)19(2)12-14-8-9-15(11-18)17(10-14)20-3/h8-10,13,16H,4-7,11-12,18H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine?
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 106785394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).