2,6-dichloro-N-(3-phenylbutyl)aniline

C16H17Cl2N — CID 65469702

IUPAC2,6-dichloro-N-(3-phenylbutyl)aniline
SMILESCC(CCNc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C16H17Cl2N/c1-12(13-6-3-2-4-7-13)10-11-19-16-14(17)8-5-9-15(16)18/h2-9,12,19H,10-11H2,1H3
InChIKeyMALPIQPEHMEKIN-UHFFFAOYSA-N
MW294.23 g/mol
LogP5.60
Rot. Bonds5

About 2,6-dichloro-N-(3-phenylbutyl)aniline

2,6-dichloro-N-(3-phenylbutyl)aniline (PubChem CID 65469702) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-phenylbutyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(3-phenylbutyl)aniline
PubChem CID65469702
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name2,6-dichloro-N-(3-phenylbutyl)aniline
SMILESCC(CCNc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C16H17Cl2N/c1-12(13-6-3-2-4-7-13)10-11-19-16-14(17)8-5-9-15(16)18/h2-9,12,19H,10-11H2,1H3
InChIKeyMALPIQPEHMEKIN-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.23
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline
CID 63425134
2,6-dichloro-4-(3-phenylbutylamino)phenol
CID 107679289
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 81377419
5-chloro-N-(3-phenylbutyl)pyridin-2-amine
CID 62986989
2,6-dichloro-N-(1-phenylethyl)aniline
CID 65467797
2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 108997357
2,6-difluoro-1-N-(3-phenylbutyl)benzene-1,4-diamine
CID 62986800
3,5-dichloro-6-hydrazinyl-N-(3-phenylbutyl)pyridin-2-amine
CID 102762003
2-chloro-5-methyl-4-N-(3-phenylbutyl)benzene-1,4-diamine
CID 115554911
2-chloro-5-methoxy-N-(3-phenylbutyl)aniline
CID 63453629
2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline
CID 43121812
N-[1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 63420298

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-phenylbutyl)aniline?
The IUPAC name of 2,6-dichloro-N-(3-phenylbutyl)aniline (CID 65469702) is 2,6-dichloro-N-(3-phenylbutyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(3-phenylbutyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(3-phenylbutyl)aniline is CC(CCNc1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of 2,6-dichloro-N-(3-phenylbutyl)aniline?
The InChIKey is MALPIQPEHMEKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-12(13-6-3-2-4-7-13)10-11-19-16-14(17)8-5-9-15(16)18/h2-9,12,19H,10-11H2,1H3.
What are the key properties of 2,6-dichloro-N-(3-phenylbutyl)aniline?
2,6-dichloro-N-(3-phenylbutyl)aniline has a molecular weight of 294.23 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-phenylbutyl)aniline is sourced from PubChem (CID 65469702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).