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

C17H19ClFNO — CID 67674348

IUPAC(2R)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-phenylbutan-2-ol
SMILESCC(Cc1ccccc1)[C@](N)(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C17H19ClFNO/c1-12(10-13-6-3-2-4-7-13)17(20,21)11-14-8-5-9-15(18)16(14)19/h2-9,12,21H,10-11,20H2,1H3/t12?,17-/m1/s1
InChIKeyWTZVRKAJZASSIP-RGUGMKFQSA-N
MW307.80 g/mol
LogP3.55
Rot. Bonds5

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

(2R)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-phenylbutan-2-ol (PubChem CID 67674348) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is (2R)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-phenylbutan-2-ol
PubChem CID67674348
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name(2R)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-phenylbutan-2-ol
SMILESCC(Cc1ccccc1)[C@](N)(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C17H19ClFNO/c1-12(10-13-6-3-2-4-7-13)17(20,21)11-14-8-5-9-15(18)16(14)19/h2-9,12,21H,10-11,20H2,1H3/t12?,17-/m1/s1
InChIKeyWTZVRKAJZASSIP-RGUGMKFQSA-N
XLogP3.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[(3-chloro-2-fluorophenyl)methyl]heptan-4-ol
CID 102857067
3-(aminomethyl)-4-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 102863427
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
3-methyl-1,4-diphenylbutane-2,2-diamine
CID 22904156
1-(3-chloro-2-fluorophenyl)pentane-2,3-diol
CID 103454687
2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 102864838
2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride
CID 173157536
2-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol
CID 102863925
(1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol
CID 171263945
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
CID 170892601

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-phenylbutan-2-ol?
The IUPAC name of (2R)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-phenylbutan-2-ol (CID 67674348) is (2R)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-phenylbutan-2-ol.
What is the SMILES notation for (2R)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-phenylbutan-2-ol?
The canonical SMILES for (2R)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-phenylbutan-2-ol is CC(Cc1ccccc1)[C@](N)(O)Cc1cccc(Cl)c1F.
What is the InChIKey of (2R)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-phenylbutan-2-ol?
The InChIKey is WTZVRKAJZASSIP-RGUGMKFQSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-12(10-13-6-3-2-4-7-13)17(20,21)11-14-8-5-9-15(18)16(14)19/h2-9,12,21H,10-11,20H2,1H3/t12?,17-/m1/s1.
What are the key properties of (2R)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-phenylbutan-2-ol?
(2R)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-phenylbutan-2-ol has a molecular weight of 307.80 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-phenylbutan-2-ol is sourced from PubChem (CID 67674348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).