3-(4,5-dichloro-2-methylphenyl)butan-1-amine

C11H15Cl2N — CID 84795234

IUPAC3-(4,5-dichloro-2-methylphenyl)butan-1-amine
SMILESCc1cc(Cl)c(Cl)cc1C(C)CCN
InChIInChI=1S/C11H15Cl2N/c1-7(3-4-14)9-6-11(13)10(12)5-8(9)2/h5-7H,3-4,14H2,1-2H3
InChIKeyIQHABRZXBKOHQD-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.75
Rot. Bonds3

About 3-(4,5-dichloro-2-methylphenyl)butan-1-amine

3-(4,5-dichloro-2-methylphenyl)butan-1-amine (PubChem CID 84795234) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 3-(4,5-dichloro-2-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(4,5-dichloro-2-methylphenyl)butan-1-amine
PubChem CID84795234
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name3-(4,5-dichloro-2-methylphenyl)butan-1-amine
SMILESCc1cc(Cl)c(Cl)cc1C(C)CCN
InChIInChI=1S/C11H15Cl2N/c1-7(3-4-14)9-6-11(13)10(12)5-8(9)2/h5-7H,3-4,14H2,1-2H3
InChIKeyIQHABRZXBKOHQD-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chloro-2,5-dimethylphenyl)butan-1-amine
CID 84782148
3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117320871
3-(3-chloro-2,5-dimethylphenyl)butan-1-amine
CID 84782147
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
3-(5-chloro-2,4-dimethoxy-3-methylphenyl)butan-1-amine
CID 117398173
3-(3-chloro-2,6-difluoro-5-methylphenyl)butan-1-amine
CID 117339667
3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine
CID 84784490
2-(4-aminobutan-2-yl)-5-bromo-4-chlorophenol
CID 84811450
3-(4-chloro-3-methylphenyl)butan-1-amine
CID 82398517
3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82492113
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dichloro-2-methylphenyl)butan-1-amine?
The IUPAC name of 3-(4,5-dichloro-2-methylphenyl)butan-1-amine (CID 84795234) is 3-(4,5-dichloro-2-methylphenyl)butan-1-amine.
What is the SMILES notation for 3-(4,5-dichloro-2-methylphenyl)butan-1-amine?
The canonical SMILES for 3-(4,5-dichloro-2-methylphenyl)butan-1-amine is Cc1cc(Cl)c(Cl)cc1C(C)CCN.
What is the InChIKey of 3-(4,5-dichloro-2-methylphenyl)butan-1-amine?
The InChIKey is IQHABRZXBKOHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-7(3-4-14)9-6-11(13)10(12)5-8(9)2/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 3-(4,5-dichloro-2-methylphenyl)butan-1-amine?
3-(4,5-dichloro-2-methylphenyl)butan-1-amine has a molecular weight of 232.15 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dichloro-2-methylphenyl)butan-1-amine is sourced from PubChem (CID 84795234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).