2,3-dichloro-N-methylbutan-1-amine

C5H11Cl2N — CID 137401962

IUPAC2,3-dichloro-N-methylbutan-1-amine
SMILESCNCC(Cl)C(C)Cl
InChIInChI=1S/C5H11Cl2N/c1-4(6)5(7)3-8-2/h4-5,8H,3H2,1-2H3
InChIKeyIHUGVHQUTLIMDB-UHFFFAOYSA-N
MW156.06 g/mol
LogP1.44
Rot. Bonds3

About 2,3-dichloro-N-methylbutan-1-amine

2,3-dichloro-N-methylbutan-1-amine (PubChem CID 137401962) has the molecular formula C5H11Cl2N and a molecular weight of 156.06 g/mol. Its IUPAC name is 2,3-dichloro-N-methylbutan-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-methylbutan-1-amine
PubChem CID137401962
Molecular FormulaC5H11Cl2N
Molecular Weight156.06 g/mol
Exact Mass155.03
IUPAC Name2,3-dichloro-N-methylbutan-1-amine
SMILESCNCC(Cl)C(C)Cl
InChIInChI=1S/C5H11Cl2N/c1-4(6)5(7)3-8-2/h4-5,8H,3H2,1-2H3
InChIKeyIHUGVHQUTLIMDB-UHFFFAOYSA-N
XLogP1.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.06
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2,3-dichloro-N-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,5,6,8,9,11,12-octachlorotridecane
CID 169186703
2-chloropropane;bis(N-methylmethanamine)
CID 88525662
(2R)-N-methyl-2-phosphanylpropan-1-amine
CID 171624131
N,2-dimethylpropan-1-amine;methanamine
CID 144585140
CID 159823868
CID 159823868
ethane;2-fluoro-N-methylpropan-1-amine
CID 144550973
2-chloro-N,4,4-trimethylpentan-1-amine
CID 107155762
N,4-dimethyl-2-(2-methylpropyl)pentan-1-amine
CID 62530298
2-methyl-3-(methylamino)propan-1-ol
CID 23264324
(2S)-N,2,4-trimethylpentan-1-amine
CID 90327710
(2R)-3,3-difluoro-N,2-dimethylpropan-1-amine
CID 176965974
N-[(2R)-1-(methylamino)propan-2-yl]acetamide
CID 88935703

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-methylbutan-1-amine?
The IUPAC name of 2,3-dichloro-N-methylbutan-1-amine (CID 137401962) is 2,3-dichloro-N-methylbutan-1-amine.
What is the SMILES notation for 2,3-dichloro-N-methylbutan-1-amine?
The canonical SMILES for 2,3-dichloro-N-methylbutan-1-amine is CNCC(Cl)C(C)Cl.
What is the InChIKey of 2,3-dichloro-N-methylbutan-1-amine?
The InChIKey is IHUGVHQUTLIMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2N/c1-4(6)5(7)3-8-2/h4-5,8H,3H2,1-2H3.
What are the key properties of 2,3-dichloro-N-methylbutan-1-amine?
2,3-dichloro-N-methylbutan-1-amine has a molecular weight of 156.06 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-methylbutan-1-amine is sourced from PubChem (CID 137401962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).