2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol

C16H18FNO — CID 61046917

IUPAC2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol
SMILESCC(CO)(NCc1ccccc1)c1ccccc1F
InChIInChI=1S/C16H18FNO/c1-16(12-19,14-9-5-6-10-15(14)17)18-11-13-7-3-2-4-8-13/h2-10,18-19H,11-12H2,1H3
InChIKeyJTCMMCKGPDAOSZ-UHFFFAOYSA-N
MW259.32 g/mol
LogP2.82
Rot. Bonds5

About 2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol

2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol (PubChem CID 61046917) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol
PubChem CID61046917
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol
SMILESCC(CO)(NCc1ccccc1)c1ccccc1F
InChIInChI=1S/C16H18FNO/c1-16(12-19,14-9-5-6-10-15(14)17)18-11-13-7-3-2-4-8-13/h2-10,18-19H,11-12H2,1H3
InChIKeyJTCMMCKGPDAOSZ-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol
CID 61044896
2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
CID 61045814
2-(4-fluoroanilino)-2-(2-fluorophenyl)propan-1-ol
CID 61048560
2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol
CID 61045809
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol
CID 103793108
2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol
CID 11769859
(2S)-2-(benzylamino)-2-methylbut-3-en-1-ol
CID 131187397
2-(benzylamino)-3-hydroxy-2-methylpropanenitrile
CID 130509146
(2S,3S)-3-(benzylamino)-3-methylpent-4-yne-1,2-diol
CID 130708638
2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol
CID 113225435
2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol
CID 115630532

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol (CID 61046917) is 2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol is CC(CO)(NCc1ccccc1)c1ccccc1F.
What is the InChIKey of 2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol?
The InChIKey is JTCMMCKGPDAOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-16(12-19,14-9-5-6-10-15(14)17)18-11-13-7-3-2-4-8-13/h2-10,18-19H,11-12H2,1H3.
What are the key properties of 2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol?
2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol has a molecular weight of 259.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 61046917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).