butane;N-octyl-N-phenylaniline

C24H37N — CID 175431375

IUPACbutane;N-octyl-N-phenylaniline
SMILESCCCC.CCCCCCCCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N.C4H10/c1-2-3-4-5-6-13-18-21(19-14-9-7-10-15-19)20-16-11-8-12-17-20;1-3-4-2/h7-12,14-17H,2-6,13,18H2,1H3;3-4H2,1-2H3
InChIKeyJZANEHHFHMJIBM-UHFFFAOYSA-N
MW339.57 g/mol
LogP7.99
Rot. Bonds10

About butane;N-octyl-N-phenylaniline

butane;N-octyl-N-phenylaniline (PubChem CID 175431375) has the molecular formula C24H37N and a molecular weight of 339.57 g/mol. Its IUPAC name is butane;N-octyl-N-phenylaniline.

Molecular Properties

Compound Namebutane;N-octyl-N-phenylaniline
PubChem CID175431375
Molecular FormulaC24H37N
Molecular Weight339.57 g/mol
Exact Mass339.29
IUPAC Namebutane;N-octyl-N-phenylaniline
SMILESCCCC.CCCCCCCCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N.C4H10/c1-2-3-4-5-6-13-18-21(19-14-9-7-10-15-19)20-16-11-8-12-17-20;1-3-4-2/h7-12,14-17H,2-6,13,18H2,1H3;3-4H2,1-2H3
InChIKeyJZANEHHFHMJIBM-UHFFFAOYSA-N
XLogP7.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butane;N-octyl-N-phenylaniline 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

N-butyl-N-phenylaniline;hydrobromide
CID 70419495
benzene;N-octyl-N-phenylnaphthalen-2-amine
CID 174859594
3-(N-hexadecylanilino)phenol
CID 21083116
N-hexyl-N-phenylthiophen-3-amine
CID 118311453
4-methoxy-N-pentyl-N-phenylaniline
CID 174868120
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
naphthalen-1-amine;N-nonyl-N-phenylaniline
CID 174946941
N-heptyl-N-methylaniline
CID 54015540
2-chloro-4-N,6-N-didodecyl-4-N,6-N-diphenylpyrimidine-4,6-diamine
CID 154412006
4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine
CID 18942806
N-dodecyl-N-methylaniline;hydrochloride
CID 23333551

Frequently Asked Questions

What is the IUPAC name of butane;N-octyl-N-phenylaniline?
The IUPAC name of butane;N-octyl-N-phenylaniline (CID 175431375) is butane;N-octyl-N-phenylaniline.
What is the SMILES notation for butane;N-octyl-N-phenylaniline?
The canonical SMILES for butane;N-octyl-N-phenylaniline is CCCC.CCCCCCCCN(c1ccccc1)c1ccccc1.
What is the InChIKey of butane;N-octyl-N-phenylaniline?
The InChIKey is JZANEHHFHMJIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N.C4H10/c1-2-3-4-5-6-13-18-21(19-14-9-7-10-15-19)20-16-11-8-12-17-20;1-3-4-2/h7-12,14-17H,2-6,13,18H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;N-octyl-N-phenylaniline?
butane;N-octyl-N-phenylaniline has a molecular weight of 339.57 g/mol, XLogP of 7.99, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-octyl-N-phenylaniline is sourced from PubChem (CID 175431375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).