2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine

C16H26N2O — CID 115117890

IUPAC2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
SMILESCCOc1ccc(N(C)C2CCCCC2N)cc1C
InChIInChI=1S/C16H26N2O/c1-4-19-16-10-9-13(11-12(16)2)18(3)15-8-6-5-7-14(15)17/h9-11,14-15H,4-8,17H2,1-3H3
InChIKeyLMDRVCSKHCWNCF-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.10
Rot. Bonds4

About 2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine

2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine (PubChem CID 115117890) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
PubChem CID115117890
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
SMILESCCOc1ccc(N(C)C2CCCCC2N)cc1C
InChIInChI=1S/C16H26N2O/c1-4-19-16-10-9-13(11-12(16)2)18(3)15-8-6-5-7-14(15)17/h9-11,14-15H,4-8,17H2,1-3H3
InChIKeyLMDRVCSKHCWNCF-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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
4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 115149765
2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117888
4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63669956
4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline
CID 115260617
[1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol
CID 115246834
1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine
CID 115117233
2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine
CID 102639798
1-N-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine
CID 115117218
3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134578
4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257768
2-N-ethyl-2-N-methylcyclododecane-1,2-diamine
CID 43263336

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine (CID 115117890) is 2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine is CCOc1ccc(N(C)C2CCCCC2N)cc1C.
What is the InChIKey of 2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine?
The InChIKey is LMDRVCSKHCWNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-19-16-10-9-13(11-12(16)2)18(3)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-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine?
2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 115117890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).