(2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butan-1-ol

C13H18FNO — CID 96907769

IUPAC(2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butan-1-ol
SMILESCC[C@H](CO)NC/C=C/c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-2-13(10-16)15-9-3-4-11-5-7-12(14)8-6-11/h3-8,13,15-16H,2,9-10H2,1H3/b4-3+/t13-/m1/s1
InChIKeyMNVUBWPZZNXJCA-ITDFMYJTSA-N
MW223.29 g/mol
LogP2.20
Rot. Bonds6

About (2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butan-1-ol

(2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butan-1-ol (PubChem CID 96907769) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butan-1-ol
PubChem CID96907769
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butan-1-ol
SMILESCC[C@H](CO)NC/C=C/c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-2-13(10-16)15-9-3-4-11-5-7-12(14)8-6-11/h3-8,13,15-16H,2,9-10H2,1H3/b4-3+/t13-/m1/s1
InChIKeyMNVUBWPZZNXJCA-ITDFMYJTSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butan-1-ol with MolForge

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Related Compounds

2-[[(E)-3-phenylprop-2-enyl]amino]butan-1-ol;hydrochloride
CID 17290182
2-(3-phenylprop-2-enylamino)propane-1,3-diol
CID 77065033
N-[(E)-3-(4-fluorophenyl)prop-2-enyl]but-3-en-2-amine
CID 115751651
2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride
CID 17290154
3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butanenitrile
CID 104586887
(E)-N-(1-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine
CID 115751536
N-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine
CID 171148379
2-[[(E)-4-chlorobut-2-enyl]amino]butan-1-ol
CID 81430679
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
4-[(E)-3-[[(2S)-1-hydroxypropan-2-yl]amino]prop-1-enyl]benzonitrile
CID 103864292
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104981948
(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butan-1-ol (CID 96907769) is (2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butan-1-ol is CC[C@H](CO)NC/C=C/c1ccc(F)cc1.
What is the InChIKey of (2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butan-1-ol?
The InChIKey is MNVUBWPZZNXJCA-ITDFMYJTSA-N. The full InChI is InChI=1S/C13H18FNO/c1-2-13(10-16)15-9-3-4-11-5-7-12(14)8-6-11/h3-8,13,15-16H,2,9-10H2,1H3/b4-3+/t13-/m1/s1.
What are the key properties of (2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butan-1-ol?
(2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butan-1-ol is sourced from PubChem (CID 96907769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).