(2S)-4-(2,5-dichlorophenyl)butan-2-amine

C10H13Cl2N — CID 95375914

IUPAC(2S)-4-(2,5-dichlorophenyl)butan-2-amine
SMILESC[C@H](N)CCc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H13Cl2N/c1-7(13)2-3-8-6-9(11)4-5-10(8)12/h4-7H,2-3,13H2,1H3/t7-/m0/s1
InChIKeyAOGCAQXRDKDHGP-ZETCQYMHSA-N
MW218.13 g/mol
LogP3.27
Rot. Bonds3

About (2S)-4-(2,5-dichlorophenyl)butan-2-amine

(2S)-4-(2,5-dichlorophenyl)butan-2-amine (PubChem CID 95375914) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is (2S)-4-(2,5-dichlorophenyl)butan-2-amine.

Molecular Properties

Compound Name(2S)-4-(2,5-dichlorophenyl)butan-2-amine
PubChem CID95375914
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name(2S)-4-(2,5-dichlorophenyl)butan-2-amine
SMILESC[C@H](N)CCc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H13Cl2N/c1-7(13)2-3-8-6-9(11)4-5-10(8)12/h4-7H,2-3,13H2,1H3/t7-/m0/s1
InChIKeyAOGCAQXRDKDHGP-ZETCQYMHSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dichloro-2-(4-chloropentyl)benzene
CID 65316185
4-(2,5-dichlorophenyl)-3-methylbutan-2-amine
CID 65316880
1-(2,5-dichlorophenyl)hexane-3,4-diol
CID 83931430
5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65303779
(2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine
CID 131126672
5-amino-1-(2,4-dichlorophenyl)hexan-2-one
CID 116571543
2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175
3-(3-aminobutyl)-5-chloropyridin-2-amine
CID 64503633
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
4-amino-1-(2,5-dichlorophenyl)pentan-1-one
CID 116571674
N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 113405304
1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol
CID 64515130

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2,5-dichlorophenyl)butan-2-amine?
The IUPAC name of (2S)-4-(2,5-dichlorophenyl)butan-2-amine (CID 95375914) is (2S)-4-(2,5-dichlorophenyl)butan-2-amine.
What is the SMILES notation for (2S)-4-(2,5-dichlorophenyl)butan-2-amine?
The canonical SMILES for (2S)-4-(2,5-dichlorophenyl)butan-2-amine is C[C@H](N)CCc1cc(Cl)ccc1Cl.
What is the InChIKey of (2S)-4-(2,5-dichlorophenyl)butan-2-amine?
The InChIKey is AOGCAQXRDKDHGP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13Cl2N/c1-7(13)2-3-8-6-9(11)4-5-10(8)12/h4-7H,2-3,13H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-4-(2,5-dichlorophenyl)butan-2-amine?
(2S)-4-(2,5-dichlorophenyl)butan-2-amine has a molecular weight of 218.13 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2,5-dichlorophenyl)butan-2-amine is sourced from PubChem (CID 95375914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).