3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline

C18H23FN2 — CID 43727006

IUPAC3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline
SMILESCCN(CC)Cc1cccc(NCc2cccc(F)c2)c1
InChIInChI=1S/C18H23FN2/c1-3-21(4-2)14-16-8-6-10-18(12-16)20-13-15-7-5-9-17(19)11-15/h5-12,20H,3-4,13-14H2,1-2H3
InChIKeyLVAZIQVNNMRAMA-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.28
Rot. Bonds7

About 3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline

3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline (PubChem CID 43727006) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline
PubChem CID43727006
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline
SMILESCCN(CC)Cc1cccc(NCc2cccc(F)c2)c1
InChIInChI=1S/C18H23FN2/c1-3-21(4-2)14-16-8-6-10-18(12-16)20-13-15-7-5-9-17(19)11-15/h5-12,20H,3-4,13-14H2,1-2H3
InChIKeyLVAZIQVNNMRAMA-UHFFFAOYSA-N
XLogP4.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline
CID 43435845
3-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66398542
N-[(5-bromothiophen-3-yl)methyl]-3-(diethylaminomethyl)aniline
CID 43727058
N-[(3-fluorophenyl)methyl]-3-iodoaniline
CID 28879212
3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 103720547
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
N-[(3-fluorophenyl)methyl]-4-propylaniline
CID 29045443
2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile
CID 60677065
N-[(4-bromo-3-fluorophenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 81437225
6-[[3-(diethylaminomethyl)anilino]methyl]pyridin-3-ol
CID 79781685
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline
CID 105488137
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline?
The IUPAC name of 3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline (CID 43727006) is 3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline.
What is the SMILES notation for 3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline?
The canonical SMILES for 3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline is CCN(CC)Cc1cccc(NCc2cccc(F)c2)c1.
What is the InChIKey of 3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline?
The InChIKey is LVAZIQVNNMRAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-3-21(4-2)14-16-8-6-10-18(12-16)20-13-15-7-5-9-17(19)11-15/h5-12,20H,3-4,13-14H2,1-2H3.
What are the key properties of 3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline?
3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline has a molecular weight of 286.39 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline is sourced from PubChem (CID 43727006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).