1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine

C14H14ClFN2O — CID 107879633

IUPAC1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C14H14ClFN2O/c1-17-7-11-3-4-12(8-18-11)19-9-10-2-5-13(15)14(16)6-10/h2-6,8,17H,7,9H2,1H3
InChIKeyBKWZLUNMQFFSOV-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.17
Rot. Bonds5

About 1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine

1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine (PubChem CID 107879633) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
PubChem CID107879633
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C14H14ClFN2O/c1-17-7-11-3-4-12(8-18-11)19-9-10-2-5-13(15)14(16)6-10/h2-6,8,17H,7,9H2,1H3
InChIKeyBKWZLUNMQFFSOV-UHFFFAOYSA-N
XLogP3.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 107879639
1-[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 105402628
1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 82727211
N-[[5-[(3-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 103037879
N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781676
1-[5-[(4-bromophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79775958
5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 107881627
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine
CID 79782023
1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79776321
1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene
CID 107888358
1-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107879997
[5-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]methanol
CID 18758409

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine (CID 107879633) is 1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine is CNCc1ccc(OCc2ccc(Cl)c(F)c2)cn1.
What is the InChIKey of 1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine?
The InChIKey is BKWZLUNMQFFSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-17-7-11-3-4-12(8-18-11)19-9-10-2-5-13(15)14(16)6-10/h2-6,8,17H,7,9H2,1H3.
What are the key properties of 1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine?
1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine has a molecular weight of 280.73 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 107879633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).