4-(2,3-dichlorophenyl)-3-methylbutan-1-amine

C11H15Cl2N — CID 83924705

IUPAC4-(2,3-dichlorophenyl)-3-methylbutan-1-amine
SMILESCC(CCN)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2N/c1-8(5-6-14)7-9-3-2-4-10(12)11(9)13/h2-4,8H,5-7,14H2,1H3
InChIKeyALNDFEDPSNMRSR-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.52
Rot. Bonds4

About 4-(2,3-dichlorophenyl)-3-methylbutan-1-amine

4-(2,3-dichlorophenyl)-3-methylbutan-1-amine (PubChem CID 83924705) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-3-methylbutan-1-amine
PubChem CID83924705
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name4-(2,3-dichlorophenyl)-3-methylbutan-1-amine
SMILESCC(CCN)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2N/c1-8(5-6-14)7-9-3-2-4-10(12)11(9)13/h2-4,8H,5-7,14H2,1H3
InChIKeyALNDFEDPSNMRSR-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,3-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 82534769
1-(2,3-dichlorophenyl)propane-2-thiol
CID 169111936
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
1-(2,3-dichlorophenyl)-4-methylhexan-2-ol
CID 107312463
4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443749
2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 83924661
1,2-dichloro-3-[2-(1-chloroethyl)-3-methylbutyl]benzene
CID 107309498
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
3-(2,3-dichlorophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 107309848
1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312388
1-(2,3-dichlorophenyl)-2-methylheptan-4-one
CID 83924687

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-3-methylbutan-1-amine?
The IUPAC name of 4-(2,3-dichlorophenyl)-3-methylbutan-1-amine (CID 83924705) is 4-(2,3-dichlorophenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-3-methylbutan-1-amine?
The canonical SMILES for 4-(2,3-dichlorophenyl)-3-methylbutan-1-amine is CC(CCN)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 4-(2,3-dichlorophenyl)-3-methylbutan-1-amine?
The InChIKey is ALNDFEDPSNMRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-8(5-6-14)7-9-3-2-4-10(12)11(9)13/h2-4,8H,5-7,14H2,1H3.
What are the key properties of 4-(2,3-dichlorophenyl)-3-methylbutan-1-amine?
4-(2,3-dichlorophenyl)-3-methylbutan-1-amine has a molecular weight of 232.15 g/mol, XLogP of 3.52, 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)-3-methylbutan-1-amine is sourced from PubChem (CID 83924705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).