2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine

C18H30N2O — CID 62708961

IUPAC2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCOc1cccc(CN(C)C2CC(C(C)C)CCC2N)c1
InChIInChI=1S/C18H30N2O/c1-13(2)15-8-9-17(19)18(11-15)20(3)12-14-6-5-7-16(10-14)21-4/h5-7,10,13,15,17-18H,8-9,11-12,19H2,1-4H3
InChIKeyDVTVALFCVWFFNV-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.28
Rot. Bonds5

About 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine

2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine (PubChem CID 62708961) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
PubChem CID62708961
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCOc1cccc(CN(C)C2CC(C(C)C)CCC2N)c1
InChIInChI=1S/C18H30N2O/c1-13(2)15-8-9-17(19)18(11-15)20(3)12-14-6-5-7-16(10-14)21-4/h5-7,10,13,15,17-18H,8-9,11-12,19H2,1-4H3
InChIKeyDVTVALFCVWFFNV-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 129034350
2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420564
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61419887
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
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
(2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine
CID 112736512
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 75386810
N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558489
N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 102639186
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420082
4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119525

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine (CID 62708961) is 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine is COc1cccc(CN(C)C2CC(C(C)C)CCC2N)c1.
What is the InChIKey of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine?
The InChIKey is DVTVALFCVWFFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)15-8-9-17(19)18(11-15)20(3)12-14-6-5-7-16(10-14)21-4/h5-7,10,13,15,17-18H,8-9,11-12,19H2,1-4H3.
What are the key properties of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine?
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.28, 5 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-methyl-4-propan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 62708961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).