(2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol

C17H20FNO — CID 102610067

IUPAC(2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol
SMILESCc1ccc(F)cc1CN[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H20FNO/c1-13-7-8-16(18)10-15(13)11-19-17(12-20)9-14-5-3-2-4-6-14/h2-8,10,17,19-20H,9,11-12H2,1H3/t17-/m0/s1
InChIKeyQFNXFBCCNFSJTO-KRWDZBQOSA-N
MW273.35 g/mol
LogP2.83
Rot. Bonds6

About (2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol

(2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 102610067) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol
PubChem CID102610067
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol
SMILESCc1ccc(F)cc1CN[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H20FNO/c1-13-7-8-16(18)10-15(13)11-19-17(12-20)9-14-5-3-2-4-6-14/h2-8,10,17,19-20H,9,11-12H2,1H3/t17-/m0/s1
InChIKeyQFNXFBCCNFSJTO-KRWDZBQOSA-N
XLogP2.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922865
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
(2S)-2-[(2-chloro-4-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610186
1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine
CID 105373668
2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167666
(2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922947
5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 107861282
3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 104922782
(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
4-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103251242
N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63012959
1-[(5-fluoro-2-methylphenyl)methyl]-3-(2-phenylethyl)thiourea
CID 3748869

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol (CID 102610067) is (2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol is Cc1ccc(F)cc1CN[C@H](CO)Cc1ccccc1.
What is the InChIKey of (2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is QFNXFBCCNFSJTO-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13-7-8-16(18)10-15(13)11-19-17(12-20)9-14-5-3-2-4-6-14/h2-8,10,17,19-20H,9,11-12H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol?
(2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 273.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 102610067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).