4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine

C20H20N2 — CID 67775594

IUPAC4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine
SMILESCC(c1ccccc1)N(c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C20H20N2/c1-16(17-8-4-2-5-9-17)22(19-10-6-3-7-11-19)20-14-12-18(21)13-15-20/h2-16H,21H2,1H3
InChIKeyWDZLHEZDMLOIOQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.17
Rot. Bonds4

About 4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine

4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine (PubChem CID 67775594) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine
PubChem CID67775594
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine
SMILESCC(c1ccccc1)N(c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C20H20N2/c1-16(17-8-4-2-5-9-17)22(19-10-6-3-7-11-19)20-14-12-18(21)13-15-20/h2-16H,21H2,1H3
InChIKeyWDZLHEZDMLOIOQ-UHFFFAOYSA-N
XLogP5.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[1-(N-methylanilino)ethyl]aniline
CID 82024536
(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
N-[(1S)-1-phenylethyl]-N-[(N-[(1S)-1-phenylethyl]anilino)disulfanyl]aniline
CID 59444440
benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine
CID 67959062
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline
CID 173154873
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
CID 100998322
CID 100998322
(2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine
CID 139888641
4-[4-(N-methylanilino)phenyl]aniline
CID 21015508
4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline
CID 123960089
4-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 18421146

Frequently Asked Questions

What is the IUPAC name of 4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine (CID 67775594) is 4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine is CC(c1ccccc1)N(c1ccccc1)c1ccc(N)cc1.
What is the InChIKey of 4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine?
The InChIKey is WDZLHEZDMLOIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-16(17-8-4-2-5-9-17)22(19-10-6-3-7-11-19)20-14-12-18(21)13-15-20/h2-16H,21H2,1H3.
What are the key properties of 4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine?
4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine has a molecular weight of 288.39 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine is sourced from PubChem (CID 67775594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).