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

C11H15Cl2N — CID 64503767

IUPAC4-(2,3-dichlorophenyl)-N-methylbutan-2-amine
SMILESCNC(C)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2N/c1-8(14-2)6-7-9-4-3-5-10(12)11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyBALVQBXDXDWUTR-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.53
Rot. Bonds4

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

4-(2,3-dichlorophenyl)-N-methylbutan-2-amine (PubChem CID 64503767) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-N-methylbutan-2-amine
PubChem CID64503767
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name4-(2,3-dichlorophenyl)-N-methylbutan-2-amine
SMILESCNC(C)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2N/c1-8(14-2)6-7-9-4-3-5-10(12)11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyBALVQBXDXDWUTR-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-5-methylhexan-3-ol
CID 107309467
4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 107311080
(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine
CID 93424532
1-(2,3-dichlorophenyl)hexan-3-amine
CID 64504833
4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol
CID 43746669
N-[(2,3-dichlorophenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206866
2-chloro-6-[2-(methylamino)propyl]phenol
CID 84733707
4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine
CID 82540396
4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine
CID 81147000
1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 107859555
N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine
CID 62733353
1-(2,3-dichlorophenyl)propane-2-thiol
CID 169111936

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-N-methylbutan-2-amine?
The IUPAC name of 4-(2,3-dichlorophenyl)-N-methylbutan-2-amine (CID 64503767) is 4-(2,3-dichlorophenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-N-methylbutan-2-amine?
The canonical SMILES for 4-(2,3-dichlorophenyl)-N-methylbutan-2-amine is CNC(C)CCc1cccc(Cl)c1Cl.
What is the InChIKey of 4-(2,3-dichlorophenyl)-N-methylbutan-2-amine?
The InChIKey is BALVQBXDXDWUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-8(14-2)6-7-9-4-3-5-10(12)11(9)13/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of 4-(2,3-dichlorophenyl)-N-methylbutan-2-amine?
4-(2,3-dichlorophenyl)-N-methylbutan-2-amine has a molecular weight of 232.15 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 64503767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).