4-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine

C17H28N2O — CID 61420139

IUPAC4-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
SMILESCCC1CCC(N)C(N(C)Cc2ccc(OC)cc2)C1
InChIInChI=1S/C17H28N2O/c1-4-13-7-10-16(18)17(11-13)19(2)12-14-5-8-15(20-3)9-6-14/h5-6,8-9,13,16-17H,4,7,10-12,18H2,1-3H3
InChIKeyZCJUACBTENZHRO-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.03
Rot. Bonds5

About 4-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine

4-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine (PubChem CID 61420139) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
PubChem CID61420139
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
SMILESCCC1CCC(N)C(N(C)Cc2ccc(OC)cc2)C1
InChIInChI=1S/C17H28N2O/c1-4-13-7-10-16(18)17(11-13)19(2)12-14-5-8-15(20-3)9-6-14/h5-6,8-9,13,16-17H,4,7,10-12,18H2,1-3H3
InChIKeyZCJUACBTENZHRO-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,4-diethyl-2-N-methylcyclohexane-1,2-diamine
CID 43263387
4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 79423001
4-ethyl-2-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 79422404
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708961
2-[(4-methoxyphenyl)methyl-methylamino]cycloheptane-1-carbonitrile
CID 61420333
4-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 114428373
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639912
4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 63275638
N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 783025
2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine
CID 81014177
1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine
CID 115117506

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 4-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine (CID 61420139) is 4-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 4-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 4-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine is CCC1CCC(N)C(N(C)Cc2ccc(OC)cc2)C1.
What is the InChIKey of 4-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine?
The InChIKey is ZCJUACBTENZHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-13-7-10-16(18)17(11-13)19(2)12-14-5-8-15(20-3)9-6-14/h5-6,8-9,13,16-17H,4,7,10-12,18H2,1-3H3.
What are the key properties of 4-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine?
4-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 61420139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).