2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline

C17H21FN2 — CID 62980338

IUPAC2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline
SMILESCc1ccc(CN)c(N(C)C(C)c2ccccc2F)c1
InChIInChI=1S/C17H21FN2/c1-12-8-9-14(11-19)17(10-12)20(3)13(2)15-6-4-5-7-16(15)18/h4-10,13H,11,19H2,1-3H3
InChIKeyGXVVNSVYFJZNKX-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.79
Rot. Bonds4

About 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline

2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline (PubChem CID 62980338) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline
PubChem CID62980338
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline
SMILESCc1ccc(CN)c(N(C)C(C)c2ccccc2F)c1
InChIInChI=1S/C17H21FN2/c1-12-8-9-14(11-19)17(10-12)20(3)13(2)15-6-4-5-7-16(15)18/h4-10,13H,11,19H2,1-3H3
InChIKeyGXVVNSVYFJZNKX-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
CID 107532357
4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
CID 62980166
3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine
CID 62980701
2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 107926195
2-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylethyl)aniline
CID 62308654
2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzoic acid
CID 62984177
2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide
CID 107930493
3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine
CID 63062748
4-chloro-2-N-[1-(2-fluorophenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468939
4-chloro-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 62980215
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 107878398
4-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylaniline
CID 63567303

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline?
The IUPAC name of 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline (CID 62980338) is 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline?
The canonical SMILES for 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline is Cc1ccc(CN)c(N(C)C(C)c2ccccc2F)c1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline?
The InChIKey is GXVVNSVYFJZNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-12-8-9-14(11-19)17(10-12)20(3)13(2)15-6-4-5-7-16(15)18/h4-10,13H,11,19H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline?
2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline has a molecular weight of 272.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline is sourced from PubChem (CID 62980338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).