(2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol

C10H14ClNO — CID 89399982

IUPAC(2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol
SMILESN[C@H](Cc1ccccc1)[C@@H](O)CCl
InChIInChI=1S/C10H14ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2/t9-,10+/m1/s1
InChIKeyYXWOYBQZWSLSMU-ZJUUUORDSA-N
MW199.68 g/mol
LogP1.16
Rot. Bonds4

About (2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol

(2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol (PubChem CID 89399982) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol
PubChem CID89399982
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol
SMILESN[C@H](Cc1ccccc1)[C@@H](O)CCl
InChIInChI=1S/C10H14ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2/t9-,10+/m1/s1
InChIKeyYXWOYBQZWSLSMU-ZJUUUORDSA-N
XLogP1.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
(3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile
CID 70364729
(2R,3S)-3-amino-1-(benzylamino)-4-phenylbutan-2-ol
CID 57428240
3,4-diamino-1-phenylbutan-2-ol
CID 66646271
(2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol
CID 69147350
(2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol
CID 97184226
3-amino-1-phenylpentan-2-ol
CID 57155399
(2R,3S)-3-amino-1-nitro-4-phenylbutan-2-ol;hydrochloride
CID 71519985
(2S,3R)-2-amino-1-phenyloctadecan-3-ol
CID 118735812
(2S)-3-amino-1-[amino(2-methylpropyl)amino]-4-phenylbutan-2-ol
CID 154522413

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol?
The IUPAC name of (2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol (CID 89399982) is (2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol.
What is the SMILES notation for (2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol?
The canonical SMILES for (2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol is N[C@H](Cc1ccccc1)[C@@H](O)CCl.
What is the InChIKey of (2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol?
The InChIKey is YXWOYBQZWSLSMU-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H14ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2/t9-,10+/m1/s1.
What are the key properties of (2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol?
(2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol has a molecular weight of 199.68 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol is sourced from PubChem (CID 89399982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).