N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline

C18H23FN2 — CID 63551208

IUPACN-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
SMILESCCN(c1ccc(CNC(C)C)cc1)c1cccc(F)c1
InChIInChI=1S/C18H23FN2/c1-4-21(18-7-5-6-16(19)12-18)17-10-8-15(9-11-17)13-20-14(2)3/h5-12,14,20H,4,13H2,1-3H3
InChIKeyWRZFKMWRLPEGFO-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.48
Rot. Bonds6

About N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline

N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline (PubChem CID 63551208) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
PubChem CID63551208
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
SMILESCCN(c1ccc(CNC(C)C)cc1)c1cccc(F)c1
InChIInChI=1S/C18H23FN2/c1-4-21(18-7-5-6-16(19)12-18)17-10-8-15(9-11-17)13-20-14(2)3/h5-12,14,20H,4,13H2,1-3H3
InChIKeyWRZFKMWRLPEGFO-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63550784
N-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63552892
(1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol
CID 78940802
N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline
CID 62122777
4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28682596
N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline
CID 63550597
N-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62257454
3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
CID 62461622
4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile
CID 115367385
3-[4-(N-ethyl-3-fluoroanilino)phenyl]prop-2-enoic acid
CID 76999912
3-(N-ethyl-3-fluoroanilino)butan-2-ol
CID 78977221
1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone
CID 79600398

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline?
The IUPAC name of N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline (CID 63551208) is N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline.
What is the SMILES notation for N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline?
The canonical SMILES for N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline is CCN(c1ccc(CNC(C)C)cc1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline?
The InChIKey is WRZFKMWRLPEGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-4-21(18-7-5-6-16(19)12-18)17-10-8-15(9-11-17)13-20-14(2)3/h5-12,14,20H,4,13H2,1-3H3.
What are the key properties of N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline?
N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline has a molecular weight of 286.39 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline is sourced from PubChem (CID 63551208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).