N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline

C17H21FN2 — CID 43313735

IUPACN-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
SMILESCCNCc1cc(F)ccc1N(C)Cc1ccccc1
InChIInChI=1S/C17H21FN2/c1-3-19-12-15-11-16(18)9-10-17(15)20(2)13-14-7-5-4-6-8-14/h4-11,19H,3,12-13H2,1-2H3
InChIKeyHJAOUEOYDAPDMK-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.57
Rot. Bonds6

About N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline

N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline (PubChem CID 43313735) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
PubChem CID43313735
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
SMILESCCNCc1cc(F)ccc1N(C)Cc1ccccc1
InChIInChI=1S/C17H21FN2/c1-3-19-12-15-11-16(18)9-10-17(15)20(2)13-14-7-5-4-6-8-14/h4-11,19H,3,12-13H2,1-2H3
InChIKeyHJAOUEOYDAPDMK-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 43313736
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 61416913
N-benzyl-2,4-difluoro-N-methylaniline
CID 110454539
5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol
CID 107201266
3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81246247
4-fluoro-N-(furan-3-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 61422704
2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol
CID 113426132
N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313923
4-fluoro-N-methyl-2-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565214
2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 63540837
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878
N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 43313896

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline?
The IUPAC name of N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline (CID 43313735) is N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline.
What is the SMILES notation for N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline?
The canonical SMILES for N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline is CCNCc1cc(F)ccc1N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline?
The InChIKey is HJAOUEOYDAPDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-3-19-12-15-11-16(18)9-10-17(15)20(2)13-14-7-5-4-6-8-14/h4-11,19H,3,12-13H2,1-2H3.
What are the key properties of N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline?
N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline has a molecular weight of 272.37 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline is sourced from PubChem (CID 43313735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).