4-N,4-N-dimethyl-2-phenylbenzene-1,4-diamine

C14H16N2 — CID 18371357

IUPAC4-N,4-N-dimethyl-2-phenylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)c(-c2ccccc2)c1
InChIInChI=1S/C14H16N2/c1-16(2)12-8-9-14(15)13(10-12)11-6-4-3-5-7-11/h3-10H,15H2,1-2H3
InChIKeyIQQGOJZFTZOCPC-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.00
Rot. Bonds2

About 4-N,4-N-dimethyl-2-phenylbenzene-1,4-diamine

4-N,4-N-dimethyl-2-phenylbenzene-1,4-diamine (PubChem CID 18371357) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-phenylbenzene-1,4-diamine
PubChem CID18371357
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name4-N,4-N-dimethyl-2-phenylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)c(-c2ccccc2)c1
InChIInChI=1S/C14H16N2/c1-16(2)12-8-9-14(15)13(10-12)11-6-4-3-5-7-11/h3-10H,15H2,1-2H3
InChIKeyIQQGOJZFTZOCPC-UHFFFAOYSA-N
XLogP3.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-2-(4-phenylphenyl)aniline
CID 153492708
2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline
CID 100933717
N,N-dimethyl-4-phenyl-3-pyridin-2-ylaniline
CID 139252241
4-[[4-(dimethylamino)phenyl]-[[4-(dimethylamino)phenyl]-[4-(dimethylamino)-2-phenylphenyl]methyl]sulfonylmethyl]-N,N-dimethyl-3-phenylaniline
CID 70469106
4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline
CID 146637396
4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 68785889
N,N-dimethyl-3-phenyl-4-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)aniline
CID 141067030
1-N,1-N,3-N,3-N-tetramethyl-5-phenylbenzene-1,3-diamine
CID 102138083
4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline
CID 146637405
2-phenyl-4-phenylsulfanylaniline
CID 68788372
N,N-dimethylmethanamine;2-fluoro-4-phenylaniline
CID 22288747
2-phenylaniline;hydrochloride
CID 5284347

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-phenylbenzene-1,4-diamine (CID 18371357) is 4-N,4-N-dimethyl-2-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-phenylbenzene-1,4-diamine is CN(C)c1ccc(N)c(-c2ccccc2)c1.
What is the InChIKey of 4-N,4-N-dimethyl-2-phenylbenzene-1,4-diamine?
The InChIKey is IQQGOJZFTZOCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-16(2)12-8-9-14(15)13(10-12)11-6-4-3-5-7-11/h3-10H,15H2,1-2H3.
What are the key properties of 4-N,4-N-dimethyl-2-phenylbenzene-1,4-diamine?
4-N,4-N-dimethyl-2-phenylbenzene-1,4-diamine has a molecular weight of 212.30 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-phenylbenzene-1,4-diamine is sourced from PubChem (CID 18371357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).