3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine

C18H32N2O — CID 43434722

IUPAC3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNCc1ccc(OC)c(C)c1)N(C)C
InChIInChI=1S/C18H32N2O/c1-7-16(8-2)17(20(4)5)13-19-12-15-9-10-18(21-6)14(3)11-15/h9-11,16-17,19H,7-8,12-13H2,1-6H3
InChIKeyCXSJJZFHCCHKCC-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.46
Rot. Bonds9

About 3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine

3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 43434722) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID43434722
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNCc1ccc(OC)c(C)c1)N(C)C
InChIInChI=1S/C18H32N2O/c1-7-16(8-2)17(20(4)5)13-19-12-15-9-10-18(21-6)14(3)11-15/h9-11,16-17,19H,7-8,12-13H2,1-6H3
InChIKeyCXSJJZFHCCHKCC-UHFFFAOYSA-N
XLogP3.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62691785
3-ethyl-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 43105468
3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 43106207
(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084850
3-[(4-methoxy-3-methylphenyl)methylamino]-2-methylpropanenitrile
CID 62646735
methyl 2-[[(4-methoxy-3-methylphenyl)methylamino]methyl]butanoate
CID 115253119
1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205575
3-ethyl-2-N,2-N-dimethyl-1-N-[(4-methylsulfanylphenyl)methyl]pentane-1,2-diamine
CID 43100914
5-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-fluorobenzonitrile
CID 107936103
1-N-[(3,4-dimethoxyphenyl)methyl]butane-1,2-diamine
CID 83957273
2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 110779755
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 63451553

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine (CID 43434722) is 3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine is CCC(CC)C(CNCc1ccc(OC)c(C)c1)N(C)C.
What is the InChIKey of 3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is CXSJJZFHCCHKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-7-16(8-2)17(20(4)5)13-19-12-15-9-10-18(21-6)14(3)11-15/h9-11,16-17,19H,7-8,12-13H2,1-6H3.
What are the key properties of 3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine?
3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 43434722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).