2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine

C17H28N2O — CID 64752913

IUPAC2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine
SMILESCOc1ccccc1CN(C)C1C(C)CC(C)CC1N
InChIInChI=1S/C17H28N2O/c1-12-9-13(2)17(15(18)10-12)19(3)11-14-7-5-6-8-16(14)20-4/h5-8,12-13,15,17H,9-11,18H2,1-4H3
InChIKeyNTUUNGSSWPCBHJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.89
Rot. Bonds4

About 2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine

2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine (PubChem CID 64752913) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine
PubChem CID64752913
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine
SMILESCOc1ccccc1CN(C)C1C(C)CC(C)CC1N
InChIInChI=1S/C17H28N2O/c1-12-9-13(2)17(15(18)10-12)19(3)11-14-7-5-6-8-16(14)20-4/h5-8,12-13,15,17H,9-11,18H2,1-4H3
InChIKeyNTUUNGSSWPCBHJ-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736433
(1R,2S,3R,5R)-3-amino-5-(4-fluorophenoxy)-2-[(2-methoxyphenyl)methyl-methylamino]cyclopentan-1-ol
CID 110155470
2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine
CID 64722799
1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine
CID 103562687
(1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 155940113
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80999243
N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide
CID 102778901
(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54995705
(4R)-2-[(2-methoxyphenyl)methoxy]-4-methyloxolane
CID 155795428

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine (CID 64752913) is 2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine is COc1ccccc1CN(C)C1C(C)CC(C)CC1N.
What is the InChIKey of 2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine?
The InChIKey is NTUUNGSSWPCBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12-9-13(2)17(15(18)10-12)19(3)11-14-7-5-6-8-16(14)20-4/h5-8,12-13,15,17H,9-11,18H2,1-4H3.
What are the key properties of 2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine?
2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 64752913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).