2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline

C16H19FN2 — CID 95465608

IUPAC2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline
SMILESCN(Cc1ccccc1)c1cccc(F)c1CCN
InChIInChI=1S/C16H19FN2/c1-19(12-13-6-3-2-4-7-13)16-9-5-8-15(17)14(16)10-11-18/h2-9H,10-12,18H2,1H3
InChIKeyOLORQQDNZLNIFW-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.96
Rot. Bonds5

About 2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline

2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline (PubChem CID 95465608) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline
PubChem CID95465608
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline
SMILESCN(Cc1ccccc1)c1cccc(F)c1CCN
InChIInChI=1S/C16H19FN2/c1-19(12-13-6-3-2-4-7-13)16-9-5-8-15(17)14(16)10-11-18/h2-9H,10-12,18H2,1H3
InChIKeyOLORQQDNZLNIFW-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline
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2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline
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2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 114879482
2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline
CID 114065952
N-benzyl-2,4-difluoro-N-methylaniline
CID 110454539
3-[(2-fluoro-N-methylanilino)methyl]phenol
CID 82978376
2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline
CID 63784223
4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine
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1-N-benzyl-4-chloro-5-fluoro-1-N-methylbenzene-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline?
The IUPAC name of 2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline (CID 95465608) is 2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline?
The canonical SMILES for 2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline is CN(Cc1ccccc1)c1cccc(F)c1CCN.
What is the InChIKey of 2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline?
The InChIKey is OLORQQDNZLNIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-19(12-13-6-3-2-4-7-13)16-9-5-8-15(17)14(16)10-11-18/h2-9H,10-12,18H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline?
2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline has a molecular weight of 258.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline is sourced from PubChem (CID 95465608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).