(2S)-2-(2,5-dichlorophenyl)butan-2-amine

C10H13Cl2N — CID 130054976

IUPAC(2S)-2-(2,5-dichlorophenyl)butan-2-amine
SMILESCC[C@](C)(N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H13Cl2N/c1-3-10(2,13)8-6-7(11)4-5-9(8)12/h4-6H,3,13H2,1-2H3/t10-/m0/s1
InChIKeyHPWHWQBLHZZSSE-JTQLQIEISA-N
MW218.13 g/mol
LogP3.58
Rot. Bonds2

About (2S)-2-(2,5-dichlorophenyl)butan-2-amine

(2S)-2-(2,5-dichlorophenyl)butan-2-amine (PubChem CID 130054976) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is (2S)-2-(2,5-dichlorophenyl)butan-2-amine.

Molecular Properties

Compound Name(2S)-2-(2,5-dichlorophenyl)butan-2-amine
PubChem CID130054976
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name(2S)-2-(2,5-dichlorophenyl)butan-2-amine
SMILESCC[C@](C)(N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H13Cl2N/c1-3-10(2,13)8-6-7(11)4-5-9(8)12/h4-6H,3,13H2,1-2H3/t10-/m0/s1
InChIKeyHPWHWQBLHZZSSE-JTQLQIEISA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,5-dichlorophenyl)pentan-3-amine
CID 62791781
3-(2,4-dichlorophenyl)pentan-3-amine
CID 60987757
(2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile
CID 30123245
2-(5-chloro-2,4-difluorophenyl)butan-2-amine
CID 130133970
1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 67599120
1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine
CID 115003193
1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63408241
1-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanamine
CID 62787808
2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one
CID 116590355
1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 55186959
(2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol
CID 130690062
2-amino-2-(4-chloro-2-methylphenyl)propan-1-ol
CID 55270459

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dichlorophenyl)butan-2-amine?
The IUPAC name of (2S)-2-(2,5-dichlorophenyl)butan-2-amine (CID 130054976) is (2S)-2-(2,5-dichlorophenyl)butan-2-amine.
What is the SMILES notation for (2S)-2-(2,5-dichlorophenyl)butan-2-amine?
The canonical SMILES for (2S)-2-(2,5-dichlorophenyl)butan-2-amine is CC[C@](C)(N)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2S)-2-(2,5-dichlorophenyl)butan-2-amine?
The InChIKey is HPWHWQBLHZZSSE-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13Cl2N/c1-3-10(2,13)8-6-7(11)4-5-9(8)12/h4-6H,3,13H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-(2,5-dichlorophenyl)butan-2-amine?
(2S)-2-(2,5-dichlorophenyl)butan-2-amine has a molecular weight of 218.13 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dichlorophenyl)butan-2-amine is sourced from PubChem (CID 130054976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).