2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline

C14H16FN3 — CID 79517600

IUPAC2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCN(Cc1ccncc1)c1cccc(F)c1CN
InChIInChI=1S/C14H16FN3/c1-18(10-11-5-7-17-8-6-11)14-4-2-3-13(15)12(14)9-16/h2-8H,9-10,16H2,1H3
InChIKeyCKIZKUMVLMVYKO-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.32
Rot. Bonds4

About 2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline

2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 79517600) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
PubChem CID79517600
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCN(Cc1ccncc1)c1cccc(F)c1CN
InChIInChI=1S/C14H16FN3/c1-18(10-11-5-7-17-8-6-11)14-4-2-3-13(15)12(14)9-16/h2-8H,9-10,16H2,1H3
InChIKeyCKIZKUMVLMVYKO-UHFFFAOYSA-N
XLogP2.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline
CID 95465608
2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline
CID 79515815
[2-chloro-6-[methyl(pyridin-4-ylmethyl)amino]phenyl]methanol
CID 43564416
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 107532176
2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline
CID 114879429
2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 79515809
2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline
CID 79515468
3-chloro-N-methyl-2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 43564469
2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline
CID 79517983
2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline
CID 79517799
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563639
2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline (CID 79517600) is 2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline is CN(Cc1ccncc1)c1cccc(F)c1CN.
What is the InChIKey of 2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is CKIZKUMVLMVYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-18(10-11-5-7-17-8-6-11)14-4-2-3-13(15)12(14)9-16/h2-8H,9-10,16H2,1H3.
What are the key properties of 2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline?
2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 245.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 79517600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).