(1R,2R)-2-amino-1-(2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol

C18H22FNO — CID 67672509

IUPAC(1R,2R)-2-amino-1-(2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol
SMILESCc1ccccc1CC(C)[C@@H](N)[C@H](O)c1ccccc1F
InChIInChI=1S/C18H22FNO/c1-12-7-3-4-8-14(12)11-13(2)17(20)18(21)15-9-5-6-10-16(15)19/h3-10,13,17-18,21H,11,20H2,1-2H3/t13?,17-,18-/m1/s1
InChIKeyTVBJTLOZLQDNEZ-NGKGQXKNSA-N
MW287.38 g/mol
LogP3.37
Rot. Bonds5

About (1R,2R)-2-amino-1-(2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol

(1R,2R)-2-amino-1-(2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol (PubChem CID 67672509) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is (1R,2R)-2-amino-1-(2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-amino-1-(2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol
PubChem CID67672509
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name(1R,2R)-2-amino-1-(2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol
SMILESCc1ccccc1CC(C)[C@@H](N)[C@H](O)c1ccccc1F
InChIInChI=1S/C18H22FNO/c1-12-7-3-4-8-14(12)11-13(2)17(20)18(21)15-9-5-6-10-16(15)19/h3-10,13,17-18,21H,11,20H2,1-2H3/t13?,17-,18-/m1/s1
InChIKeyTVBJTLOZLQDNEZ-NGKGQXKNSA-N
XLogP3.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-1-(2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol?
The IUPAC name of (1R,2R)-2-amino-1-(2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol (CID 67672509) is (1R,2R)-2-amino-1-(2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol.
What is the SMILES notation for (1R,2R)-2-amino-1-(2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol?
The canonical SMILES for (1R,2R)-2-amino-1-(2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol is Cc1ccccc1CC(C)[C@@H](N)[C@H](O)c1ccccc1F.
What is the InChIKey of (1R,2R)-2-amino-1-(2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol?
The InChIKey is TVBJTLOZLQDNEZ-NGKGQXKNSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-7-3-4-8-14(12)11-13(2)17(20)18(21)15-9-5-6-10-16(15)19/h3-10,13,17-18,21H,11,20H2,1-2H3/t13?,17-,18-/m1/s1.
What are the key properties of (1R,2R)-2-amino-1-(2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol?
(1R,2R)-2-amino-1-(2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol has a molecular weight of 287.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-1-(2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol is sourced from PubChem (CID 67672509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).