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

C14H16N2 — CID 57314003

IUPAC1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine
SMILESCNc1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/C14H16N2/c1-15-12-8-10-14(11-9-12)16(2)13-6-4-3-5-7-13/h3-11,15H,1-2H3
InChIKeyOKQIAINGKBPXJF-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.50
Rot. Bonds3

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

1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine (PubChem CID 57314003) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine
PubChem CID57314003
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine
SMILESCNc1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/C14H16N2/c1-15-12-8-10-14(11-9-12)16(2)13-6-4-3-5-7-13/h3-11,15H,1-2H3
InChIKeyOKQIAINGKBPXJF-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine (CID 57314003) is 1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine is CNc1ccc(N(C)c2ccccc2)cc1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine?
The InChIKey is OKQIAINGKBPXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-15-12-8-10-14(11-9-12)16(2)13-6-4-3-5-7-13/h3-11,15H,1-2H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine?
1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine has a molecular weight of 212.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 57314003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).