1-(3,4-dichlorophenyl)-3-methylbutan-1-amine

C11H15Cl2N — CID 43344490

IUPAC1-(3,4-dichlorophenyl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2N/c1-7(2)5-11(14)8-3-4-9(12)10(13)6-8/h3-4,6-7,11H,5,14H2,1-2H3
InChIKeyVPTGHZHSAAXMBU-UHFFFAOYSA-N
MW232.15 g/mol
LogP4.04
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-methylbutan-1-amine

1-(3,4-dichlorophenyl)-3-methylbutan-1-amine (PubChem CID 43344490) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-methylbutan-1-amine
PubChem CID43344490
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name1-(3,4-dichlorophenyl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2N/c1-7(2)5-11(14)8-3-4-9(12)10(13)6-8/h3-4,6-7,11H,5,14H2,1-2H3
InChIKeyVPTGHZHSAAXMBU-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-3-methylbutane-1,4-diamine
CID 116934237
(1S)-1-(3-chloro-4-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171223999
(1S)-1-(3,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171220884
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 43486511
(1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine
CID 130902077
(1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine
CID 130641493
(1S)-1-(3,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131260292
1,2-dichloro-4-(2-methylheptan-4-yl)benzene
CID 67949273
1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine
CID 103024800
1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 81492063
ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate
CID 46220930

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-methylbutan-1-amine (CID 43344490) is 1-(3,4-dichlorophenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-methylbutan-1-amine is CC(C)CC(N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-methylbutan-1-amine?
The InChIKey is VPTGHZHSAAXMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-7(2)5-11(14)8-3-4-9(12)10(13)6-8/h3-4,6-7,11H,5,14H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-methylbutan-1-amine?
1-(3,4-dichlorophenyl)-3-methylbutan-1-amine has a molecular weight of 232.15 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 43344490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).