N-(2-fluoroethyl)-4-[(E)-2-(4-methoxycyclohexa-1,3-dien-1-yl)ethenyl]aniline

C17H20FNO — CID 142216778

IUPACN-(2-fluoroethyl)-4-[(E)-2-(4-methoxycyclohexa-1,3-dien-1-yl)ethenyl]aniline
SMILESCOC1=CC=C(/C=C/c2ccc(NCCF)cc2)CC1
InChIInChI=1S/C17H20FNO/c1-20-17-10-6-15(7-11-17)3-2-14-4-8-16(9-5-14)19-13-12-18/h2-6,8-10,19H,7,11-13H2,1H3/b3-2+
InChIKeyAZIDGUINFONTNH-NSCUHMNNSA-N
MW273.35 g/mol
LogP4.33
Rot. Bonds6

About N-(2-fluoroethyl)-4-[(E)-2-(4-methoxycyclohexa-1,3-dien-1-yl)ethenyl]aniline

N-(2-fluoroethyl)-4-[(E)-2-(4-methoxycyclohexa-1,3-dien-1-yl)ethenyl]aniline (PubChem CID 142216778) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-(2-fluoroethyl)-4-[(E)-2-(4-methoxycyclohexa-1,3-dien-1-yl)ethenyl]aniline.

Molecular Properties

Compound NameN-(2-fluoroethyl)-4-[(E)-2-(4-methoxycyclohexa-1,3-dien-1-yl)ethenyl]aniline
PubChem CID142216778
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-(2-fluoroethyl)-4-[(E)-2-(4-methoxycyclohexa-1,3-dien-1-yl)ethenyl]aniline
SMILESCOC1=CC=C(/C=C/c2ccc(NCCF)cc2)CC1
InChIInChI=1S/C17H20FNO/c1-20-17-10-6-15(7-11-17)3-2-14-4-8-16(9-5-14)19-13-12-18/h2-6,8-10,19H,7,11-13H2,1H3/b3-2+
InChIKeyAZIDGUINFONTNH-NSCUHMNNSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Ethyl-p-toluidine
CID 61164
N,N-dimethyl-4-{[(4-methylphenyl)amino]methyl}aniline
CID 292407
4-Methyl-N-(prop-2-en-1-yl)aniline
CID 246779
N-(2-fluorobenzyl)-4-methylaniline
CID 834598
4-(Hexadecylamino)Benzylamine
CID 4122428
4-[(1E,3E,5E)-6-[4-(2-fluoroethylamino)phenyl]hexa-1,3,5-trienyl]aniline
CID 11500527
4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylaniline
CID 118707595
Benzyl(4-ethylphenyl)amine
CID 7951207
p-Toluidine, N-phenylpropyl-
CID 116039
N-ethyl-4-(trifluoromethyl)aniline
CID 11252470
N4,N4-Dimethyl-N-alpha-(4-fluorophenyl)-toluene-alpha,4-diamine
CID 4192464
(1-Phenylbut-3-enyl)-p-tolyl-amine
CID 478546

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-4-[(E)-2-(4-methoxycyclohexa-1,3-dien-1-yl)ethenyl]aniline?
The IUPAC name of N-(2-fluoroethyl)-4-[(E)-2-(4-methoxycyclohexa-1,3-dien-1-yl)ethenyl]aniline (CID 142216778) is N-(2-fluoroethyl)-4-[(E)-2-(4-methoxycyclohexa-1,3-dien-1-yl)ethenyl]aniline.
What is the SMILES notation for N-(2-fluoroethyl)-4-[(E)-2-(4-methoxycyclohexa-1,3-dien-1-yl)ethenyl]aniline?
The canonical SMILES for N-(2-fluoroethyl)-4-[(E)-2-(4-methoxycyclohexa-1,3-dien-1-yl)ethenyl]aniline is COC1=CC=C(/C=C/c2ccc(NCCF)cc2)CC1.
What is the InChIKey of N-(2-fluoroethyl)-4-[(E)-2-(4-methoxycyclohexa-1,3-dien-1-yl)ethenyl]aniline?
The InChIKey is AZIDGUINFONTNH-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H20FNO/c1-20-17-10-6-15(7-11-17)3-2-14-4-8-16(9-5-14)19-13-12-18/h2-6,8-10,19H,7,11-13H2,1H3/b3-2+.
What are the key properties of N-(2-fluoroethyl)-4-[(E)-2-(4-methoxycyclohexa-1,3-dien-1-yl)ethenyl]aniline?
N-(2-fluoroethyl)-4-[(E)-2-(4-methoxycyclohexa-1,3-dien-1-yl)ethenyl]aniline has a molecular weight of 273.35 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-4-[(E)-2-(4-methoxycyclohexa-1,3-dien-1-yl)ethenyl]aniline is sourced from PubChem (CID 142216778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).