1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine

C15H16F2N2O — CID 66448702

IUPAC1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine
SMILESCC(c1ccncc1)C(N)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H16F2N2O/c1-10(11-5-7-19-8-6-11)14(18)12-3-2-4-13(9-12)20-15(16)17/h2-10,14-15H,18H2,1H3
InChIKeyQVYVVZDNBCZJQA-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.49
Rot. Bonds5

About 1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine

1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine (PubChem CID 66448702) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine
PubChem CID66448702
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine
SMILESCC(c1ccncc1)C(N)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H16F2N2O/c1-10(11-5-7-19-8-6-11)14(18)12-3-2-4-13(9-12)20-15(16)17/h2-10,14-15H,18H2,1H3
InChIKeyQVYVVZDNBCZJQA-UHFFFAOYSA-N
XLogP3.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine
CID 66447741
2-phenyl-1-pyridin-4-ylpropan-1-amine
CID 22301590
(1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241676
(1R)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171248398
(1R)-1-[3-(difluoromethoxy)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171206124
(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-5-methylhexan-2-ol
CID 171268457
(1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171262763
1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
CID 112684585
1-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66446948
(2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 66512368
1-[3-(difluoromethoxy)phenyl]-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62759490
(1R,2S)-2-amino-1-cyclopropyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268438

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine (CID 66448702) is 1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine is CC(c1ccncc1)C(N)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine?
The InChIKey is QVYVVZDNBCZJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-10(11-5-7-19-8-6-11)14(18)12-3-2-4-13(9-12)20-15(16)17/h2-10,14-15H,18H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine?
1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine has a molecular weight of 278.30 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 66448702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).