2,5-dichloro-N-(1-phenylhexyl)aniline

C18H21Cl2N — CID 63418391

IUPAC2,5-dichloro-N-(1-phenylhexyl)aniline
SMILESCCCCCC(Nc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C18H21Cl2N/c1-2-3-5-10-17(14-8-6-4-7-9-14)21-18-13-15(19)11-12-16(18)20/h4,6-9,11-13,17,21H,2-3,5,10H2,1H3
InChIKeyIOSYMUHBXJSRMY-UHFFFAOYSA-N
MW322.28 g/mol
LogP6.73
Rot. Bonds7

About 2,5-dichloro-N-(1-phenylhexyl)aniline

2,5-dichloro-N-(1-phenylhexyl)aniline (PubChem CID 63418391) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-phenylhexyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-N-(1-phenylhexyl)aniline
PubChem CID63418391
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name2,5-dichloro-N-(1-phenylhexyl)aniline
SMILESCCCCCC(Nc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C18H21Cl2N/c1-2-3-5-10-17(14-8-6-4-7-9-14)21-18-13-15(19)11-12-16(18)20/h4,6-9,11-13,17,21H,2-3,5,10H2,1H3
InChIKeyIOSYMUHBXJSRMY-UHFFFAOYSA-N
XLogP6.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-N-(1-phenylhexyl)aniline 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

2,5-dichloro-N-(1-phenylpentyl)aniline
CID 43757186
2-chloro-5-methyl-N-(1-phenylhexyl)aniline
CID 107631201
4-chloro-N-(1-phenylhexyl)pyridin-3-amine
CID 83166461
2-methylsulfanyl-N-(1-phenylhexyl)aniline
CID 43780995
2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline
CID 104722886
5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
CID 43381923
1-(2,5-dichlorophenyl)-N-methylhexan-1-amine
CID 43486640
2-fluoro-N-(1-phenylpentyl)aniline
CID 43763346
1-(2,5-dichlorophenyl)-N-methylnonan-1-amine
CID 65449520
2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline
CID 43098482
1-(2,5-dichlorophenyl)-N-methyldecan-1-amine
CID 65449519
3,5-difluoro-N-(1-phenylhexyl)aniline
CID 43765021

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-phenylhexyl)aniline?
The IUPAC name of 2,5-dichloro-N-(1-phenylhexyl)aniline (CID 63418391) is 2,5-dichloro-N-(1-phenylhexyl)aniline.
What is the SMILES notation for 2,5-dichloro-N-(1-phenylhexyl)aniline?
The canonical SMILES for 2,5-dichloro-N-(1-phenylhexyl)aniline is CCCCCC(Nc1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 2,5-dichloro-N-(1-phenylhexyl)aniline?
The InChIKey is IOSYMUHBXJSRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-2-3-5-10-17(14-8-6-4-7-9-14)21-18-13-15(19)11-12-16(18)20/h4,6-9,11-13,17,21H,2-3,5,10H2,1H3.
What are the key properties of 2,5-dichloro-N-(1-phenylhexyl)aniline?
2,5-dichloro-N-(1-phenylhexyl)aniline has a molecular weight of 322.28 g/mol, XLogP of 6.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-phenylhexyl)aniline is sourced from PubChem (CID 63418391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).