2-chloro-5-methyl-N-(1-phenylhexyl)aniline

C19H24ClN — CID 107631201

IUPAC2-chloro-5-methyl-N-(1-phenylhexyl)aniline
SMILESCCCCCC(Nc1cc(C)ccc1Cl)c1ccccc1
InChIInChI=1S/C19H24ClN/c1-3-4-6-11-18(16-9-7-5-8-10-16)21-19-14-15(2)12-13-17(19)20/h5,7-10,12-14,18,21H,3-4,6,11H2,1-2H3
InChIKeyMJERWJYKRLANJY-UHFFFAOYSA-N
MW301.86 g/mol
LogP6.38
Rot. Bonds7

About 2-chloro-5-methyl-N-(1-phenylhexyl)aniline

2-chloro-5-methyl-N-(1-phenylhexyl)aniline (PubChem CID 107631201) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-(1-phenylhexyl)aniline.

Molecular Properties

Compound Name2-chloro-5-methyl-N-(1-phenylhexyl)aniline
PubChem CID107631201
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name2-chloro-5-methyl-N-(1-phenylhexyl)aniline
SMILESCCCCCC(Nc1cc(C)ccc1Cl)c1ccccc1
InChIInChI=1S/C19H24ClN/c1-3-4-6-11-18(16-9-7-5-8-10-16)21-19-14-15(2)12-13-17(19)20/h5,7-10,12-14,18,21H,3-4,6,11H2,1-2H3
InChIKeyMJERWJYKRLANJY-UHFFFAOYSA-N
XLogP6.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(1-phenylhexyl)aniline
CID 63418391
2,5-dichloro-N-(1-phenylpentyl)aniline
CID 43757186
4-chloro-N-(1-phenylhexyl)pyridin-3-amine
CID 83166461
2,5-dimethyl-N-(1-phenylbutyl)aniline
CID 43110358
2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline
CID 104722886
2-methylsulfanyl-N-(1-phenylhexyl)aniline
CID 43780995
2-(2-chloro-5-methylanilino)hexanoic acid
CID 107636534
N-[1-(3-bromophenyl)propyl]-2-chloro-5-methylaniline
CID 107630771
2-(2-chloro-5-methylanilino)-2-phenylacetic acid
CID 107636535
3,5-difluoro-N-(1-phenylhexyl)aniline
CID 43765021
N-pentyl-1-phenyldecan-1-amine
CID 10380274
2-fluoro-N-(1-phenylpentyl)aniline
CID 43763346

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-(1-phenylhexyl)aniline?
The IUPAC name of 2-chloro-5-methyl-N-(1-phenylhexyl)aniline (CID 107631201) is 2-chloro-5-methyl-N-(1-phenylhexyl)aniline.
What is the SMILES notation for 2-chloro-5-methyl-N-(1-phenylhexyl)aniline?
The canonical SMILES for 2-chloro-5-methyl-N-(1-phenylhexyl)aniline is CCCCCC(Nc1cc(C)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-5-methyl-N-(1-phenylhexyl)aniline?
The InChIKey is MJERWJYKRLANJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-3-4-6-11-18(16-9-7-5-8-10-16)21-19-14-15(2)12-13-17(19)20/h5,7-10,12-14,18,21H,3-4,6,11H2,1-2H3.
What are the key properties of 2-chloro-5-methyl-N-(1-phenylhexyl)aniline?
2-chloro-5-methyl-N-(1-phenylhexyl)aniline has a molecular weight of 301.86 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-(1-phenylhexyl)aniline is sourced from PubChem (CID 107631201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).