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

C16H16BrCl2N — CID 63425134

IUPAC4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline
SMILESCC(CCNc1c(Cl)cc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16BrCl2N/c1-11(12-5-3-2-4-6-12)7-8-20-16-14(18)9-13(17)10-15(16)19/h2-6,9-11,20H,7-8H2,1H3
InChIKeyBKYUIMLXTUUPNU-UHFFFAOYSA-N
MW373.12 g/mol
LogP6.36
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline

4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline (PubChem CID 63425134) has the molecular formula C16H16BrCl2N and a molecular weight of 373.12 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline
PubChem CID63425134
Molecular FormulaC16H16BrCl2N
Molecular Weight373.12 g/mol
Exact Mass370.98
IUPAC Name4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline
SMILESCC(CCNc1c(Cl)cc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16BrCl2N/c1-11(12-5-3-2-4-6-12)7-8-20-16-14(18)9-13(17)10-15(16)19/h2-6,9-11,20H,7-8H2,1H3
InChIKeyBKYUIMLXTUUPNU-UHFFFAOYSA-N
XLogP6.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.12
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-N-(3-phenylbutyl)aniline
CID 65469702
2,6-dichloro-4-(3-phenylbutylamino)phenol
CID 107679289
3,5-dichloro-6-hydrazinyl-N-(3-phenylbutyl)pyridin-2-amine
CID 102762003
4-bromo-1-N-(3-phenylbutyl)benzene-1,2-diamine
CID 55139207
2,6-difluoro-1-N-(3-phenylbutyl)benzene-1,4-diamine
CID 62986800
4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline
CID 63487856
2-chloro-5-methyl-4-N-(3-phenylbutyl)benzene-1,4-diamine
CID 115554911
2-chloro-5-methoxy-N-(3-phenylbutyl)aniline
CID 63453629
4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 63425141
3-bromo-2-methyl-N-(3-phenylbutyl)aniline
CID 107630204
N-[(3-bromo-5-fluorophenyl)methyl]-3-phenylbutan-1-amine
CID 79710629
4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451560

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline (CID 63425134) is 4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline is CC(CCNc1c(Cl)cc(Br)cc1Cl)c1ccccc1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline?
The InChIKey is BKYUIMLXTUUPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2N/c1-11(12-5-3-2-4-6-12)7-8-20-16-14(18)9-13(17)10-15(16)19/h2-6,9-11,20H,7-8H2,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline?
4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline has a molecular weight of 373.12 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline is sourced from PubChem (CID 63425134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).