(2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol

C18H20FNO — CID 107862205

IUPAC(2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol
SMILESOC[C@@H](NC(c1ccc(F)cc1)C1CC1)c1ccccc1
InChIInChI=1S/C18H20FNO/c19-16-10-8-15(9-11-16)18(14-6-7-14)20-17(12-21)13-4-2-1-3-5-13/h1-5,8-11,14,17-18,20-21H,6-7,12H2/t17-,18?/m1/s1
InChIKeyKDXBNCPIQAQYGF-QNSVNVJESA-N
MW285.36 g/mol
LogP3.60
Rot. Bonds6

About (2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol

(2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol (PubChem CID 107862205) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is (2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol
PubChem CID107862205
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name(2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol
SMILESOC[C@@H](NC(c1ccc(F)cc1)C1CC1)c1ccccc1
InChIInChI=1S/C18H20FNO/c19-16-10-8-15(9-11-16)18(14-6-7-14)20-17(12-21)13-4-2-1-3-5-13/h1-5,8-11,14,17-18,20-21H,6-7,12H2/t17-,18?/m1/s1
InChIKeyKDXBNCPIQAQYGF-QNSVNVJESA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 43724319
(2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol
CID 107862229
2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol
CID 115720367
(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
CID 103784069
2-(1-cyclopentylethylamino)-2-phenylethanol
CID 63182560
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535
1-[(S)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257538
2-cyclopropyl-2-(4-fluorophenyl)ethanol
CID 82075045
(2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol
CID 103784139
2-[[3-(4-fluorophenyl)cyclobutyl]amino]-2-phenylethanol
CID 63182164

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol (CID 107862205) is (2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol is OC[C@@H](NC(c1ccc(F)cc1)C1CC1)c1ccccc1.
What is the InChIKey of (2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol?
The InChIKey is KDXBNCPIQAQYGF-QNSVNVJESA-N. The full InChI is InChI=1S/C18H20FNO/c19-16-10-8-15(9-11-16)18(14-6-7-14)20-17(12-21)13-4-2-1-3-5-13/h1-5,8-11,14,17-18,20-21H,6-7,12H2/t17-,18?/m1/s1.
What are the key properties of (2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol?
(2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol has a molecular weight of 285.36 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol is sourced from PubChem (CID 107862205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).