N-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine

C18H24N2O — CID 62001612

IUPACN-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine
SMILESCCc1ccc(N(C)C(CN)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H24N2O/c1-4-14-5-9-16(10-6-14)20(2)18(13-19)15-7-11-17(21-3)12-8-15/h5-12,18H,4,13,19H2,1-3H3
InChIKeyWSIBGOFRXJQGRS-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.39
Rot. Bonds6

About N-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine

N-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine (PubChem CID 62001612) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine
PubChem CID62001612
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine
SMILESCCc1ccc(N(C)C(CN)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H24N2O/c1-4-14-5-9-16(10-6-14)20(2)18(13-19)15-7-11-17(21-3)12-8-15/h5-12,18H,4,13,19H2,1-3H3
InChIKeyWSIBGOFRXJQGRS-UHFFFAOYSA-N
XLogP3.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 63465054
1-(4-methoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570775
1-(3-chloro-5-fluorophenyl)-N-(4-methoxyphenyl)-N-methylethane-1,2-diamine
CID 114453365
1-(4-ethylphenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 61427466
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420601
1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 63465958
1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine
CID 16793153
N-butan-2-yl-4-methoxy-N-methylaniline
CID 154139532
1-(4-ethylphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642716
2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol
CID 112500855
N'-[(1S)-1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine
CID 94548212
N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 55011210

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine (CID 62001612) is N-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine is CCc1ccc(N(C)C(CN)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine?
The InChIKey is WSIBGOFRXJQGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-14-5-9-16(10-6-14)20(2)18(13-19)15-7-11-17(21-3)12-8-15/h5-12,18H,4,13,19H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine?
N-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 62001612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).