1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine

C17H23N3 — CID 16793153

IUPAC1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine
SMILESCN(C)c1ccc(C(CN)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H23N3/c1-19(2)15-11-9-14(10-12-15)17(13-18)20(3)16-7-5-4-6-8-16/h4-12,17H,13,18H2,1-3H3
InChIKeyXZNDZIWNMPYZAV-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.89
Rot. Bonds5

About 1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine

1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine (PubChem CID 16793153) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine
PubChem CID16793153
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine
SMILESCN(C)c1ccc(C(CN)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H23N3/c1-19(2)15-11-9-14(10-12-15)17(13-18)20(3)16-7-5-4-6-8-16/h4-12,17H,13,18H2,1-3H3
InChIKeyXZNDZIWNMPYZAV-UHFFFAOYSA-N
XLogP2.89
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 62121476
1-(3-bromo-4-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 105404647
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine
CID 43327451
N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine
CID 20668858
1-[4-(dimethylamino)phenyl]-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 43569818
N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967659
1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 43822938
1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine
CID 65380712
4-(1-aminopropan-2-yl)-N,N-dimethylaniline
CID 60965190
N,N-dimethylaniline
CID 70392672
N-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine
CID 62001612
1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine
CID 16781258

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine (CID 16793153) is 1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine is CN(C)c1ccc(C(CN)N(C)c2ccccc2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine?
The InChIKey is XZNDZIWNMPYZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-19(2)15-11-9-14(10-12-15)17(13-18)20(3)16-7-5-4-6-8-16/h4-12,17H,13,18H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine?
1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine has a molecular weight of 269.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine is sourced from PubChem (CID 16793153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).