1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine

C15H16ClFN2O — CID 114857523

IUPAC1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2ccc(Cl)cc2F)cn1
InChIInChI=1S/C15H16ClFN2O/c1-10(18)6-13-4-5-14(8-19-13)20-9-11-2-3-12(16)7-15(11)17/h2-5,7-8,10H,6,9,18H2,1H3
InChIKeyCCGJFZOYTADHDF-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.34
Rot. Bonds5

About 1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine

1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine (PubChem CID 114857523) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine
PubChem CID114857523
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2ccc(Cl)cc2F)cn1
InChIInChI=1S/C15H16ClFN2O/c1-10(18)6-13-4-5-14(8-19-13)20-9-11-2-3-12(16)7-15(11)17/h2-5,7-8,10H,6,9,18H2,1H3
InChIKeyCCGJFZOYTADHDF-UHFFFAOYSA-N
XLogP3.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine
CID 103049291
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 104980107
N-[[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 114848226
1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 114857545
1-[5-(2-fluoroethoxy)-2-pyridinyl]propan-2-amine
CID 80694475
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 114857471
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 104980144
1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196739
1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine
CID 79799523
(E)-3-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]prop-2-enoic acid
CID 114850433
N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79781312
1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine
CID 79795581

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine?
The IUPAC name of 1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine (CID 114857523) is 1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine is CC(N)Cc1ccc(OCc2ccc(Cl)cc2F)cn1.
What is the InChIKey of 1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine?
The InChIKey is CCGJFZOYTADHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-10(18)6-13-4-5-14(8-19-13)20-9-11-2-3-12(16)7-15(11)17/h2-5,7-8,10H,6,9,18H2,1H3.
What are the key properties of 1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine?
1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine has a molecular weight of 294.76 g/mol, XLogP of 3.34, 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-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 114857523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).