[2-fluoro-5-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]phenyl]methanol

C19H22FNO2 — CID 109396417

IUPAC[2-fluoro-5-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]phenyl]methanol
SMILESCOc1ccc(/C=C(/C)CNCc2ccc(F)c(CO)c2)cc1
InChIInChI=1S/C19H22FNO2/c1-14(9-15-3-6-18(23-2)7-4-15)11-21-12-16-5-8-19(20)17(10-16)13-22/h3-10,21-22H,11-13H2,1-2H3/b14-9-
InChIKeyMQKQMPWRHSWFIJ-ZROIWOOFSA-N
MW315.39 g/mol
LogP3.52
Rot. Bonds7

About [2-fluoro-5-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]phenyl]methanol

[2-fluoro-5-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]phenyl]methanol (PubChem CID 109396417) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is [2-fluoro-5-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-5-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]phenyl]methanol
PubChem CID109396417
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name[2-fluoro-5-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]phenyl]methanol
SMILESCOc1ccc(/C=C(/C)CNCc2ccc(F)c(CO)c2)cc1
InChIInChI=1S/C19H22FNO2/c1-14(9-15-3-6-18(23-2)7-4-15)11-21-12-16-5-8-19(20)17(10-16)13-22/h3-10,21-22H,11-13H2,1-2H3/b14-9-
InChIKeyMQKQMPWRHSWFIJ-ZROIWOOFSA-N
XLogP3.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine
CID 119107695
3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338398
1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol
CID 109396219
[2-fluoro-5-[[(4-methoxyphenyl)methylamino]methyl]phenyl]boronic acid
CID 91800509
N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 43283372
3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344285
3-(3,4-difluorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 79337388
N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457309
1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene
CID 79323342
1-(3-chloro-2-methylprop-1-enyl)-4-methoxybenzene
CID 70503857
[5-fluoro-4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate
CID 135154247
4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 4586282

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]phenyl]methanol?
The IUPAC name of [2-fluoro-5-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]phenyl]methanol (CID 109396417) is [2-fluoro-5-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-5-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [2-fluoro-5-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]phenyl]methanol is COc1ccc(/C=C(/C)CNCc2ccc(F)c(CO)c2)cc1.
What is the InChIKey of [2-fluoro-5-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]phenyl]methanol?
The InChIKey is MQKQMPWRHSWFIJ-ZROIWOOFSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-14(9-15-3-6-18(23-2)7-4-15)11-21-12-16-5-8-19(20)17(10-16)13-22/h3-10,21-22H,11-13H2,1-2H3/b14-9-.
What are the key properties of [2-fluoro-5-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]phenyl]methanol?
[2-fluoro-5-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]phenyl]methanol has a molecular weight of 315.39 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 109396417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).