1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine

C17H23N3 — CID 65377987

IUPAC1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(NC(CN)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H23N3/c1-13-5-4-6-15(11-13)19-17(12-18)14-7-9-16(10-8-14)20(2)3/h4-11,17,19H,12,18H2,1-3H3
InChIKeyKSBANNUPIVQUOD-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.17
Rot. Bonds5

About 1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine

1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 65377987) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine
PubChem CID65377987
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(NC(CN)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H23N3/c1-13-5-4-6-15(11-13)19-17(12-18)14-7-9-16(10-8-14)20(2)3/h4-11,17,19H,12,18H2,1-3H3
InChIKeyKSBANNUPIVQUOD-UHFFFAOYSA-N
XLogP3.17
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.17
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-phenylethane-1,2-diamine
CID 65380712
N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65377988
N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378191
1-(3-methylphenyl)-N-phenylethane-1,2-diamine
CID 65380714
1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 81144777
N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 65376750
N-(3,5-dimethylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 82131994
1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 62066969
1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377575
N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 107582847
N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine
CID 107582913
2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine (CID 65377987) is 1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine is Cc1cccc(NC(CN)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is KSBANNUPIVQUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-5-4-6-15(11-13)19-17(12-18)14-7-9-16(10-8-14)20(2)3/h4-11,17,19H,12,18H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine?
1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.17, 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-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65377987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).