2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine

C16H26N2O — CID 115117888

IUPAC2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine
SMILESCCc1cc(N(C)C2CCCCC2N)ccc1OC
InChIInChI=1S/C16H26N2O/c1-4-12-11-13(9-10-16(12)19-3)18(2)15-8-6-5-7-14(15)17/h9-11,14-15H,4-8,17H2,1-3H3
InChIKeyORJVLHPKTXGCJQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds4

About 2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine

2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine (PubChem CID 115117888) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine
PubChem CID115117888
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine
SMILESCCc1cc(N(C)C2CCCCC2N)ccc1OC
InChIInChI=1S/C16H26N2O/c1-4-12-11-13(9-10-16(12)19-3)18(2)15-8-6-5-7-14(15)17/h9-11,14-15H,4-8,17H2,1-3H3
InChIKeyORJVLHPKTXGCJQ-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117860
2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117890
2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 82383669
1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117243
N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide
CID 102638874
3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209878
3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210219
1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine
CID 115117233
1-N-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine
CID 115117218
N-(2-aminocyclohexyl)-2,4-dimethoxy-N-methylbenzamide
CID 102638864
2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol
CID 102631429
2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine
CID 102639464

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine (CID 115117888) is 2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine is CCc1cc(N(C)C2CCCCC2N)ccc1OC.
What is the InChIKey of 2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine?
The InChIKey is ORJVLHPKTXGCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-12-11-13(9-10-16(12)19-3)18(2)15-8-6-5-7-14(15)17/h9-11,14-15H,4-8,17H2,1-3H3.
What are the key properties of 2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine?
2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 115117888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).