3-(5-amino-2-methylphenyl)-N,N-dimethylbenzamide

C16H18N2O — CID 146207479

IUPAC3-(5-amino-2-methylphenyl)-N,N-dimethylbenzamide
SMILESCc1ccc(N)cc1-c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C16H18N2O/c1-11-7-8-14(17)10-15(11)12-5-4-6-13(9-12)16(19)18(2)3/h4-10H,17H2,1-3H3
InChIKeyBJWIVDPYXRMDHS-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.95
Rot. Bonds2

About 3-(5-amino-2-methylphenyl)-N,N-dimethylbenzamide

3-(5-amino-2-methylphenyl)-N,N-dimethylbenzamide (PubChem CID 146207479) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(5-amino-2-methylphenyl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(5-amino-2-methylphenyl)-N,N-dimethylbenzamide
PubChem CID146207479
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-(5-amino-2-methylphenyl)-N,N-dimethylbenzamide
SMILESCc1ccc(N)cc1-c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C16H18N2O/c1-11-7-8-14(17)10-15(11)12-5-4-6-13(9-12)16(19)18(2)3/h4-10H,17H2,1-3H3
InChIKeyBJWIVDPYXRMDHS-UHFFFAOYSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-methylphenyl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(5-amino-2-methylphenyl)-N,N-dimethylbenzamide (CID 146207479) is 3-(5-amino-2-methylphenyl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(5-amino-2-methylphenyl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(5-amino-2-methylphenyl)-N,N-dimethylbenzamide is Cc1ccc(N)cc1-c1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-(5-amino-2-methylphenyl)-N,N-dimethylbenzamide?
The InChIKey is BJWIVDPYXRMDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-7-8-14(17)10-15(11)12-5-4-6-13(9-12)16(19)18(2)3/h4-10H,17H2,1-3H3.
What are the key properties of 3-(5-amino-2-methylphenyl)-N,N-dimethylbenzamide?
3-(5-amino-2-methylphenyl)-N,N-dimethylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-methylphenyl)-N,N-dimethylbenzamide is sourced from PubChem (CID 146207479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).