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

C15H24N2O — CID 61420564

IUPAC2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
SMILESCOc1cccc(CN(C)C2CCCCC2N)c1
InChIInChI=1S/C15H24N2O/c1-17(15-9-4-3-8-14(15)16)11-12-6-5-7-13(10-12)18-2/h5-7,10,14-15H,3-4,8-9,11,16H2,1-2H3
InChIKeySJVJFHZLFNBVSH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.40
Rot. Bonds4

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

2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine (PubChem CID 61420564) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
PubChem CID61420564
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
SMILESCOc1cccc(CN(C)C2CCCCC2N)c1
InChIInChI=1S/C15H24N2O/c1-17(15-9-4-3-8-14(15)16)11-12-6-5-7-13(10-12)18-2/h5-7,10,14-15H,3-4,8-9,11,16H2,1-2H3
InChIKeySJVJFHZLFNBVSH-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61419887
N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 102639186
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708961
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 75386810
1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79468311
N-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine
CID 72609978
2-[(3-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 55036871
2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine
CID 62110928
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639912
N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 129034350
4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119525
1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117484

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine (CID 61420564) is 2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine is COc1cccc(CN(C)C2CCCCC2N)c1.
What is the InChIKey of 2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine?
The InChIKey is SJVJFHZLFNBVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(15-9-4-3-8-14(15)16)11-12-6-5-7-13(10-12)18-2/h5-7,10,14-15H,3-4,8-9,11,16H2,1-2H3.
What are the key properties of 2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine?
2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 61420564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).