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

C17H19Cl2N — CID 43757186

IUPAC2,5-dichloro-N-(1-phenylpentyl)aniline
SMILESCCCCC(Nc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H19Cl2N/c1-2-3-9-16(13-7-5-4-6-8-13)20-17-12-14(18)10-11-15(17)19/h4-8,10-12,16,20H,2-3,9H2,1H3
InChIKeyTZMOITRZSLLXHG-UHFFFAOYSA-N
MW308.25 g/mol
LogP6.34
Rot. Bonds6

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

2,5-dichloro-N-(1-phenylpentyl)aniline (PubChem CID 43757186) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-phenylpentyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-N-(1-phenylpentyl)aniline
PubChem CID43757186
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name2,5-dichloro-N-(1-phenylpentyl)aniline
SMILESCCCCC(Nc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H19Cl2N/c1-2-3-9-16(13-7-5-4-6-8-13)20-17-12-14(18)10-11-15(17)19/h4-8,10-12,16,20H,2-3,9H2,1H3
InChIKeyTZMOITRZSLLXHG-UHFFFAOYSA-N
XLogP6.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dichloro-N-(1-phenylhexyl)aniline
CID 63418391
2-chloro-5-methyl-N-(1-phenylhexyl)aniline
CID 107631201
2-fluoro-N-(1-phenylpentyl)aniline
CID 43763346
2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline
CID 104722886
4-chloro-N-(1-phenylhexyl)pyridin-3-amine
CID 83166461
5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
CID 43381923
2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline
CID 43098482
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
3-fluoro-2-methyl-N-(1-phenylpentyl)aniline
CID 63453826
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine
CID 81361767
2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine
CID 43787294
4-fluoro-2-iodo-N-(1-phenylpentyl)aniline
CID 79769469

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-phenylpentyl)aniline?
The IUPAC name of 2,5-dichloro-N-(1-phenylpentyl)aniline (CID 43757186) is 2,5-dichloro-N-(1-phenylpentyl)aniline.
What is the SMILES notation for 2,5-dichloro-N-(1-phenylpentyl)aniline?
The canonical SMILES for 2,5-dichloro-N-(1-phenylpentyl)aniline is CCCCC(Nc1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 2,5-dichloro-N-(1-phenylpentyl)aniline?
The InChIKey is TZMOITRZSLLXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-2-3-9-16(13-7-5-4-6-8-13)20-17-12-14(18)10-11-15(17)19/h4-8,10-12,16,20H,2-3,9H2,1H3.
What are the key properties of 2,5-dichloro-N-(1-phenylpentyl)aniline?
2,5-dichloro-N-(1-phenylpentyl)aniline has a molecular weight of 308.25 g/mol, XLogP of 6.34, 6 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-phenylpentyl)aniline is sourced from PubChem (CID 43757186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).