1-(2,3-dichlorophenyl)pentan-2-amine

C11H15Cl2N — CID 84752925

IUPAC1-(2,3-dichlorophenyl)pentan-2-amine
SMILESCCCC(N)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2N/c1-2-4-9(14)7-8-5-3-6-10(12)11(8)13/h3,5-6,9H,2,4,7,14H2,1H3
InChIKeyCIRZZDALQUOGIU-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.66
Rot. Bonds4

About 1-(2,3-dichlorophenyl)pentan-2-amine

1-(2,3-dichlorophenyl)pentan-2-amine (PubChem CID 84752925) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)pentan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)pentan-2-amine
PubChem CID84752925
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name1-(2,3-dichlorophenyl)pentan-2-amine
SMILESCCCC(N)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2N/c1-2-4-9(14)7-8-5-3-6-10(12)11(8)13/h3,5-6,9H,2,4,7,14H2,1H3
InChIKeyCIRZZDALQUOGIU-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-(2-chlorophenyl)pentan-2-amine
CID 104932386
1-(2,3-dichlorophenyl)hexan-3-amine
CID 64504833
1-(2,3-dichlorophenyl)hexane-2,3-diol
CID 107308307
1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine
CID 107309069
1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 107312356
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 107311717
1-(3-chloro-2-fluorophenyl)octan-2-amine
CID 82806578
1-(2-chloro-3-fluorophenyl)octan-2-amine
CID 105032513
1-(2-chloro-3-fluorophenyl)nonan-2-amine
CID 105032502
1-(3-chloro-2-fluorophenyl)dodecan-2-amine
CID 82789502
4-(2,3-dichlorophenyl)-3-methylbutan-1-amine
CID 83924705
1-(2,3-difluorophenyl)pentan-2-amine
CID 62601447

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)pentan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)pentan-2-amine (CID 84752925) is 1-(2,3-dichlorophenyl)pentan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)pentan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)pentan-2-amine is CCCC(N)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)pentan-2-amine?
The InChIKey is CIRZZDALQUOGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-2-4-9(14)7-8-5-3-6-10(12)11(8)13/h3,5-6,9H,2,4,7,14H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)pentan-2-amine?
1-(2,3-dichlorophenyl)pentan-2-amine has a molecular weight of 232.15 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)pentan-2-amine is sourced from PubChem (CID 84752925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).