[2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine

C13H12ClFN2O — CID 105391554

IUPAC[2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine
SMILESNCc1ccnc(OCc2cccc(Cl)c2)c1F
InChIInChI=1S/C13H12ClFN2O/c14-11-3-1-2-9(6-11)8-18-13-12(15)10(7-16)4-5-17-13/h1-6H,7-8,16H2
InChIKeyTTZYESVFNDERDH-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.91
Rot. Bonds4

About [2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine

[2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine (PubChem CID 105391554) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine
PubChem CID105391554
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name[2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine
SMILESNCc1ccnc(OCc2cccc(Cl)c2)c1F
InChIInChI=1S/C13H12ClFN2O/c14-11-3-1-2-9(6-11)8-18-13-12(15)10(7-16)4-5-17-13/h1-6H,7-8,16H2
InChIKeyTTZYESVFNDERDH-UHFFFAOYSA-N
XLogP2.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389320
6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine
CID 114073469
[3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine
CID 105390892
N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125486
[2-(difluoromethoxy)-3-fluoro-4-pyridinyl]methanamine
CID 168892634
3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole
CID 65125047
2-(3-chlorophenyl)-1-(3-fluoro-2-methoxy-4-pyridinyl)ethanone
CID 114270306
[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828121
2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 114044146
[2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391433
5-chloro-2-[(3-chlorophenyl)methoxy]pyridine
CID 66232556
2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
CID 104831215

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine?
The IUPAC name of [2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine (CID 105391554) is [2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine?
The canonical SMILES for [2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine is NCc1ccnc(OCc2cccc(Cl)c2)c1F.
What is the InChIKey of [2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine?
The InChIKey is TTZYESVFNDERDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c14-11-3-1-2-9(6-11)8-18-13-12(15)10(7-16)4-5-17-13/h1-6H,7-8,16H2.
What are the key properties of [2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine?
[2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine has a molecular weight of 266.70 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine is sourced from PubChem (CID 105391554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).