4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine

C22H24N2 — CID 163976726

IUPAC4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine
SMILESCCCCc1ccc(N(c2ccccc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C22H24N2/c1-2-3-7-18-10-14-21(15-11-18)24(20-8-5-4-6-9-20)22-16-12-19(23)13-17-22/h4-6,8-17H,2-3,7,23H2,1H3
InChIKeySUUDFDRYTYIPQX-UHFFFAOYSA-N
MW316.45 g/mol
LogP6.08
Rot. Bonds6

About 4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine

4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine (PubChem CID 163976726) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine
PubChem CID163976726
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine
SMILESCCCCc1ccc(N(c2ccccc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C22H24N2/c1-2-3-7-18-10-14-21(15-11-18)24(20-8-5-4-6-9-20)22-16-12-19(23)13-17-22/h4-6,8-17H,2-3,7,23H2,1H3
InChIKeySUUDFDRYTYIPQX-UHFFFAOYSA-N
XLogP6.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-octadecyl-N,N-diphenylaniline
CID 162035815
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-hexyl-N,N-diphenylaniline
CID 20525221
4-butyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-butylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900144
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
4-N-(6-octylnaphthalen-2-yl)-4-N-phenylbenzene-1,4-diamine
CID 176898390
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine
CID 67959062
1-N,4-N-bis(3,5-dibutylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 19842982
9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine
CID 21480306
N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline
CID 67658783
4-dodecylaniline;nonadecane
CID 155059812

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine (CID 163976726) is 4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine is CCCCc1ccc(N(c2ccccc2)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine?
The InChIKey is SUUDFDRYTYIPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-2-3-7-18-10-14-21(15-11-18)24(20-8-5-4-6-9-20)22-16-12-19(23)13-17-22/h4-6,8-17H,2-3,7,23H2,1H3.
What are the key properties of 4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine?
4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine has a molecular weight of 316.45 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 163976726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).