(2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol

C12H17Cl2NO — CID 66792507

IUPAC(2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol
SMILESC[C@H](CO)[C@](C)(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-8(6-16)12(2,7-15)9-3-4-10(13)11(14)5-9/h3-5,8,16H,6-7,15H2,1-2H3/t8-,12+/m1/s1
InChIKeyWNAXBBNZDGWBAX-PELKAZGASA-N
MW262.18 g/mol
LogP2.84
Rot. Bonds4

About (2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol

(2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol (PubChem CID 66792507) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is (2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name(2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol
PubChem CID66792507
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name(2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol
SMILESC[C@H](CO)[C@](C)(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-8(6-16)12(2,7-15)9-3-4-10(13)11(14)5-9/h3-5,8,16H,6-7,15H2,1-2H3/t8-,12+/m1/s1
InChIKeyWNAXBBNZDGWBAX-PELKAZGASA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-2-methylpropan-1-amine
CID 13290303
4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 57154824
3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine
CID 130574670
3-(3,4-dichlorophenyl)-3-methylbutan-2-ol
CID 66740002
1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol
CID 57144234
(5S)-5-(3,4-dichlorophenyl)hexane-1,2,3,5-tetrol
CID 155706322
1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
CID 84674781
3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
CID 132588737
2-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 117349702
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
2-(3-chloro-4-propan-2-ylphenyl)-2-fluoropropan-1-amine
CID 105424769
2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine
CID 115310843

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol?
The IUPAC name of (2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol (CID 66792507) is (2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol.
What is the SMILES notation for (2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol?
The canonical SMILES for (2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol is C[C@H](CO)[C@](C)(CN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol?
The InChIKey is WNAXBBNZDGWBAX-PELKAZGASA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-8(6-16)12(2,7-15)9-3-4-10(13)11(14)5-9/h3-5,8,16H,6-7,15H2,1-2H3/t8-,12+/m1/s1.
What are the key properties of (2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol?
(2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol has a molecular weight of 262.18 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 66792507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).