4-(2,5-dichlorophenyl)-3-methylbutan-2-amine

C11H15Cl2N — CID 65316880

IUPAC4-(2,5-dichlorophenyl)-3-methylbutan-2-amine
SMILESCC(N)C(C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2N/c1-7(8(2)14)5-9-6-10(12)3-4-11(9)13/h3-4,6-8H,5,14H2,1-2H3
InChIKeyONMIKJMXFJZNGA-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.52
Rot. Bonds3

About 4-(2,5-dichlorophenyl)-3-methylbutan-2-amine

4-(2,5-dichlorophenyl)-3-methylbutan-2-amine (PubChem CID 65316880) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-3-methylbutan-2-amine
PubChem CID65316880
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name4-(2,5-dichlorophenyl)-3-methylbutan-2-amine
SMILESCC(N)C(C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2N/c1-7(8(2)14)5-9-6-10(12)3-4-11(9)13/h3-4,6-8H,5,14H2,1-2H3
InChIKeyONMIKJMXFJZNGA-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175
2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 65318187
1-(2,5-dichlorophenyl)-4-methylhexan-2-amine
CID 115863195
1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene
CID 64664629
4-(2,5-dichlorophenyl)-3-methylbutan-2-one
CID 65316691
1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
CID 104846458
(2S)-4-(2,5-dichlorophenyl)butan-2-amine
CID 95375914
3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine
CID 115862976
4-(4-chloro-2-nitrophenyl)-3-methylbutan-2-amine
CID 62101611
1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 114885921
3-(2,5-dichlorophenyl)-N,2-dimethylpropan-1-amine
CID 64664114
1,4-dichloro-2-(2-methylpent-3-ynyl)benzene
CID 83931386

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-3-methylbutan-2-amine?
The IUPAC name of 4-(2,5-dichlorophenyl)-3-methylbutan-2-amine (CID 65316880) is 4-(2,5-dichlorophenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-3-methylbutan-2-amine?
The canonical SMILES for 4-(2,5-dichlorophenyl)-3-methylbutan-2-amine is CC(N)C(C)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-(2,5-dichlorophenyl)-3-methylbutan-2-amine?
The InChIKey is ONMIKJMXFJZNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-7(8(2)14)5-9-6-10(12)3-4-11(9)13/h3-4,6-8H,5,14H2,1-2H3.
What are the key properties of 4-(2,5-dichlorophenyl)-3-methylbutan-2-amine?
4-(2,5-dichlorophenyl)-3-methylbutan-2-amine has a molecular weight of 232.15 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 65316880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).