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

C16H21N3 — CID 65380712

IUPAC1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine
SMILESCN(C)c1ccc(C(CN)Nc2ccccc2)cc1
InChIInChI=1S/C16H21N3/c1-19(2)15-10-8-13(9-11-15)16(12-17)18-14-6-4-3-5-7-14/h3-11,16,18H,12,17H2,1-2H3
InChIKeyRRAICRVFBZHDHQ-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.86
Rot. Bonds5

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

1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine (PubChem CID 65380712) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine
PubChem CID65380712
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine
SMILESCN(C)c1ccc(C(CN)Nc2ccccc2)cc1
InChIInChI=1S/C16H21N3/c1-19(2)15-10-8-13(9-11-15)16(12-17)18-14-6-4-3-5-7-14/h3-11,16,18H,12,17H2,1-2H3
InChIKeyRRAICRVFBZHDHQ-UHFFFAOYSA-N
XLogP2.86
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
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-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377987
1-(4-ethylphenyl)-N-phenylethane-1,2-diamine
CID 65382327
1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193818
1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine
CID 115524370
1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 62066969
1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 65380315
1-(3-methylphenyl)-N-phenylethane-1,2-diamine
CID 65380714
1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine
CID 16793153
5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol
CID 107317121
1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine
CID 65380106
3-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]butan-1-ol
CID 83177263
4-(1-aminopropan-2-yl)-N,N-dimethylaniline
CID 60965190

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine (CID 65380712) is 1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine is CN(C)c1ccc(C(CN)Nc2ccccc2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine?
The InChIKey is RRAICRVFBZHDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19(2)15-10-8-13(9-11-15)16(12-17)18-14-6-4-3-5-7-14/h3-11,16,18H,12,17H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine?
1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine has a molecular weight of 255.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine is sourced from PubChem (CID 65380712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).