2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine

C18H30N2O — CID 64736433

IUPAC2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCOc1ccccc1CN(C)CC1C(C)CC(C)CC1N
InChIInChI=1S/C18H30N2O/c1-13-9-14(2)16(17(19)10-13)12-20(3)11-15-7-5-6-8-18(15)21-4/h5-8,13-14,16-17H,9-12,19H2,1-4H3
InChIKeyKIZNUENCBOOJFB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.14
Rot. Bonds5

About 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine

2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 64736433) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID64736433
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCOc1ccccc1CN(C)CC1C(C)CC(C)CC1N
InChIInChI=1S/C18H30N2O/c1-13-9-14(2)16(17(19)10-13)12-20(3)11-15-7-5-6-8-18(15)21-4/h5-8,13-14,16-17H,9-12,19H2,1-4H3
InChIKeyKIZNUENCBOOJFB-UHFFFAOYSA-N
XLogP3.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64752913
3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine
CID 64737587
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 61417528
N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline
CID 64737201
(1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 155940113
N-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine
CID 66259139
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115249526
1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine
CID 103562687
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
3-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 55136357

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine (CID 64736433) is 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine is COc1ccccc1CN(C)CC1C(C)CC(C)CC1N.
What is the InChIKey of 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is KIZNUENCBOOJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13-9-14(2)16(17(19)10-13)12-20(3)11-15-7-5-6-8-18(15)21-4/h5-8,13-14,16-17H,9-12,19H2,1-4H3.
What are the key properties of 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine?
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64736433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).