4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline

C15H15F3N2 — CID 63787025

IUPAC4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline
SMILESCN(c1ccc(F)cc1)c1c(F)cc(CCN)cc1F
InChIInChI=1S/C15H15F3N2/c1-20(12-4-2-11(16)3-5-12)15-13(17)8-10(6-7-19)9-14(15)18/h2-5,8-9H,6-7,19H2,1H3
InChIKeySZNVRWWVJIEKMH-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.37
Rot. Bonds4

About 4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline

4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline (PubChem CID 63787025) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline
PubChem CID63787025
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline
SMILESCN(c1ccc(F)cc1)c1c(F)cc(CCN)cc1F
InChIInChI=1S/C15H15F3N2/c1-20(12-4-2-11(16)3-5-12)15-13(17)8-10(6-7-19)9-14(15)18/h2-5,8-9H,6-7,19H2,1H3
InChIKeySZNVRWWVJIEKMH-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline
CID 63786695
4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 55236382
4-(chloromethyl)-2,6-difluoro-N-(4-methoxyphenyl)-N-methylaniline
CID 63567819
5-(2-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970572
4-[4-(bromomethyl)-2,6-difluoro-N-methylanilino]benzonitrile
CID 107083026
N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline
CID 117041619
4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline
CID 63786064
5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine
CID 80634293
N-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline
CID 106532649
4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 78924390
3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 107692701
2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 134127167

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline?
The IUPAC name of 4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline (CID 63787025) is 4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline?
The canonical SMILES for 4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline is CN(c1ccc(F)cc1)c1c(F)cc(CCN)cc1F.
What is the InChIKey of 4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline?
The InChIKey is SZNVRWWVJIEKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-20(12-4-2-11(16)3-5-12)15-13(17)8-10(6-7-19)9-14(15)18/h2-5,8-9H,6-7,19H2,1H3.
What are the key properties of 4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline?
4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline has a molecular weight of 280.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 63787025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).