2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline

C38H56N2 — CID 126582498

IUPAC2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline
SMILESCCCCCN(CCCCC)c1ccccc1-c1cccc(-c2ccccc2N(CCCCC)CCCCC)c1
InChIInChI=1S/C38H56N2/c1-5-9-17-28-39(29-18-10-6-2)37-26-15-13-24-35(37)33-22-21-23-34(32-33)36-25-14-16-27-38(36)40(30-19-11-7-3)31-20-12-8-4/h13-16,21-27,32H,5-12,17-20,28-31H2,1-4H3
InChIKeyCLXOVLXOXOZLBF-UHFFFAOYSA-N
MW540.88 g/mol
LogP11.39
Rot. Bonds20

About 2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline

2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline (PubChem CID 126582498) has the molecular formula C38H56N2 and a molecular weight of 540.88 g/mol. Its IUPAC name is 2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline.

Molecular Properties

Compound Name2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline
PubChem CID126582498
Molecular FormulaC38H56N2
Molecular Weight540.88 g/mol
Exact Mass540.44
IUPAC Name2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline
SMILESCCCCCN(CCCCC)c1ccccc1-c1cccc(-c2ccccc2N(CCCCC)CCCCC)c1
InChIInChI=1S/C38H56N2/c1-5-9-17-28-39(29-18-10-6-2)37-26-15-13-24-35(37)33-22-21-23-34(32-33)36-25-14-16-27-38(36)40(30-19-11-7-3)31-20-12-8-4/h13-16,21-27,32H,5-12,17-20,28-31H2,1-4H3
InChIKeyCLXOVLXOXOZLBF-UHFFFAOYSA-N
XLogP11.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.88
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine
CID 69085127
1-(dipentylamino)anthracene-9,10-dione
CID 70291028
2-(dioctadecylamino)phenol
CID 67178725
N,N-didecyl-9H-fluoren-1-amine
CID 151349271
2-chloro-N,N-dihexylaniline
CID 139723528
2,3-bis(dipentylamino)phenol
CID 67225665
N,N-dihexyl-2-methoxyaniline
CID 59373144
2-methoxy-N,N-di(pentadecyl)aniline
CID 139723453
2-N-nonyl-2-N-propylbenzene-1,2-diamine
CID 63532032
2-nitro-N,N-dioctylaniline
CID 138786720
N,N-diheptyl-2-nitroaniline
CID 139722585
N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)-2-phenylaniline
CID 141039661

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline?
The IUPAC name of 2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline (CID 126582498) is 2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline.
What is the SMILES notation for 2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline?
The canonical SMILES for 2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline is CCCCCN(CCCCC)c1ccccc1-c1cccc(-c2ccccc2N(CCCCC)CCCCC)c1.
What is the InChIKey of 2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline?
The InChIKey is CLXOVLXOXOZLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H56N2/c1-5-9-17-28-39(29-18-10-6-2)37-26-15-13-24-35(37)33-22-21-23-34(32-33)36-25-14-16-27-38(36)40(30-19-11-7-3)31-20-12-8-4/h13-16,21-27,32H,5-12,17-20,28-31H2,1-4H3.
What are the key properties of 2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline?
2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline has a molecular weight of 540.88 g/mol, XLogP of 11.39, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline is sourced from PubChem (CID 126582498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).