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

C16H26N2O — CID 115149765

IUPAC4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine
SMILESCCOc1ccc(N(C)C2CCC(N)CC2)cc1C
InChIInChI=1S/C16H26N2O/c1-4-19-16-10-9-15(11-12(16)2)18(3)14-7-5-13(17)6-8-14/h9-11,13-14H,4-8,17H2,1-3H3
InChIKeyPTBNPQDVDDTMDF-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.10
Rot. Bonds4

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

4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 115149765) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID115149765
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine
SMILESCCOc1ccc(N(C)C2CCC(N)CC2)cc1C
InChIInChI=1S/C16H26N2O/c1-4-19-16-10-9-15(11-12(16)2)18(3)14-7-5-13(17)6-8-14/h9-11,13-14H,4-8,17H2,1-3H3
InChIKeyPTBNPQDVDDTMDF-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-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117890
4-N-(2-ethoxyphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 117029195
1-(4-ethoxy-3-methylphenyl)piperidin-4-amine
CID 63214437
3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine
CID 116907306
4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine
CID 78917483
4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline
CID 115260617
4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63669956
4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol
CID 115149430
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
4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115156304
3-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115154910

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine (CID 115149765) is 4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine is CCOc1ccc(N(C)C2CCC(N)CC2)cc1C.
What is the InChIKey of 4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is PTBNPQDVDDTMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-19-16-10-9-15(11-12(16)2)18(3)14-7-5-13(17)6-8-14/h9-11,13-14H,4-8,17H2,1-3H3.
What are the key properties of 4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine?
4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-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 4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 115149765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).