N-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline

C13H12ClFN2 — CID 79255179

IUPACN-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline
SMILESCN(Cc1cc(Cl)ccn1)c1cccc(F)c1
InChIInChI=1S/C13H12ClFN2/c1-17(13-4-2-3-11(15)8-13)9-12-7-10(14)5-6-16-12/h2-8H,9H2,1H3
InChIKeyMBOOWOORPZJAQQ-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.51
Rot. Bonds3

About N-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline

N-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline (PubChem CID 79255179) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline
PubChem CID79255179
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC NameN-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline
SMILESCN(Cc1cc(Cl)ccn1)c1cccc(F)c1
InChIInChI=1S/C13H12ClFN2/c1-17(13-4-2-3-11(15)8-13)9-12-7-10(14)5-6-16-12/h2-8H,9H2,1H3
InChIKeyMBOOWOORPZJAQQ-UHFFFAOYSA-N
XLogP3.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline
CID 79255784
2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 62300674
6-[(3-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 79243204
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926
3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol
CID 82978191
N-ethyl-3-[(3-fluoro-N-methylanilino)methyl]pyridin-2-amine
CID 62466616
1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol
CID 79381503
N'-[(4-chloro-2-pyridinyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79255921
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline
CID 102662908
2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine
CID 79244666
2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol
CID 112616216
N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 79255691

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline (CID 79255179) is N-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline is CN(Cc1cc(Cl)ccn1)c1cccc(F)c1.
What is the InChIKey of N-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline?
The InChIKey is MBOOWOORPZJAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-17(13-4-2-3-11(15)8-13)9-12-7-10(14)5-6-16-12/h2-8H,9H2,1H3.
What are the key properties of N-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline?
N-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline has a molecular weight of 250.70 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 79255179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).