2-fluoro-N-methyl-5-[methylamino(pyridin-4-yl)methyl]aniline

C14H16FN3 — CID 144916428

IUPAC2-fluoro-N-methyl-5-[methylamino(pyridin-4-yl)methyl]aniline
SMILESCNc1cc(C(NC)c2ccncc2)ccc1F
InChIInChI=1S/C14H16FN3/c1-16-13-9-11(3-4-12(13)15)14(17-2)10-5-7-18-8-6-10/h3-9,14,16-17H,1-2H3
InChIKeyRYRCWDPUNRNZSX-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.57
Rot. Bonds4

About 2-fluoro-N-methyl-5-[methylamino(pyridin-4-yl)methyl]aniline

2-fluoro-N-methyl-5-[methylamino(pyridin-4-yl)methyl]aniline (PubChem CID 144916428) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-fluoro-N-methyl-5-[methylamino(pyridin-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-5-[methylamino(pyridin-4-yl)methyl]aniline
PubChem CID144916428
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name2-fluoro-N-methyl-5-[methylamino(pyridin-4-yl)methyl]aniline
SMILESCNc1cc(C(NC)c2ccncc2)ccc1F
InChIInChI=1S/C14H16FN3/c1-16-13-9-11(3-4-12(13)15)14(17-2)10-5-7-18-8-6-10/h3-9,14,16-17H,1-2H3
InChIKeyRYRCWDPUNRNZSX-UHFFFAOYSA-N
XLogP2.57
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 79747300
1-(4-ethylphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 43484668
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 55027117
N-methyl-1-(2-methylquinolin-6-yl)-1-pyridin-4-ylmethanamine
CID 81220925
1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484428
1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 55181591
1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967967
1-(3-chloro-4-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 63086652
1,1-bis(4-fluorophenyl)-N-methylmethanamine
CID 22660961
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 113297209
1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 114025401

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-5-[methylamino(pyridin-4-yl)methyl]aniline?
The IUPAC name of 2-fluoro-N-methyl-5-[methylamino(pyridin-4-yl)methyl]aniline (CID 144916428) is 2-fluoro-N-methyl-5-[methylamino(pyridin-4-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-N-methyl-5-[methylamino(pyridin-4-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-N-methyl-5-[methylamino(pyridin-4-yl)methyl]aniline is CNc1cc(C(NC)c2ccncc2)ccc1F.
What is the InChIKey of 2-fluoro-N-methyl-5-[methylamino(pyridin-4-yl)methyl]aniline?
The InChIKey is RYRCWDPUNRNZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-16-13-9-11(3-4-12(13)15)14(17-2)10-5-7-18-8-6-10/h3-9,14,16-17H,1-2H3.
What are the key properties of 2-fluoro-N-methyl-5-[methylamino(pyridin-4-yl)methyl]aniline?
2-fluoro-N-methyl-5-[methylamino(pyridin-4-yl)methyl]aniline has a molecular weight of 245.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-5-[methylamino(pyridin-4-yl)methyl]aniline is sourced from PubChem (CID 144916428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).