1-(2,5-dichlorophenyl)-N-methylbutan-1-amine

C11H15Cl2N — CID 43486635

IUPAC1-(2,5-dichlorophenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2N/c1-3-4-11(14-2)9-7-8(12)5-6-10(9)13/h5-7,11,14H,3-4H2,1-2H3
InChIKeyJHXOGIQTEIHSNA-UHFFFAOYSA-N
MW232.15 g/mol
LogP4.05
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-N-methylbutan-1-amine

1-(2,5-dichlorophenyl)-N-methylbutan-1-amine (PubChem CID 43486635) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-methylbutan-1-amine
PubChem CID43486635
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name1-(2,5-dichlorophenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2N/c1-3-4-11(14-2)9-7-8(12)5-6-10(9)13/h5-7,11,14H,3-4H2,1-2H3
InChIKeyJHXOGIQTEIHSNA-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,5-dichlorophenyl)-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

1-(2,5-dichlorophenyl)-N-methylhexan-1-amine
CID 43486640
1-(2,5-dichlorophenyl)-N-methylnonan-1-amine
CID 65449520
1-(2,5-dichlorophenyl)-N-methyldecan-1-amine
CID 65449519
3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64813241
1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine
CID 65128210
1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine
CID 65129380
1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154
2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 63412206
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 102622559
1-(5-chloro-2-methylphenyl)-N-methylnonan-1-amine
CID 115835500
1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine
CID 115845912
1-(2,5-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103546664

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-methylbutan-1-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-methylbutan-1-amine (CID 43486635) is 1-(2,5-dichlorophenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-methylbutan-1-amine is CCCC(NC)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-methylbutan-1-amine?
The InChIKey is JHXOGIQTEIHSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-3-4-11(14-2)9-7-8(12)5-6-10(9)13/h5-7,11,14H,3-4H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-methylbutan-1-amine?
1-(2,5-dichlorophenyl)-N-methylbutan-1-amine has a molecular weight of 232.15 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 43486635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).