1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine

C15H16ClFN2 — CID 66448579

IUPAC1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine
SMILESCNC(c1ccc(Cl)cc1F)C(C)c1ccccn1
InChIInChI=1S/C15H16ClFN2/c1-10(14-5-3-4-8-19-14)15(18-2)12-7-6-11(16)9-13(12)17/h3-10,15,18H,1-2H3
InChIKeyBZZWWNQIJYQXDV-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.94
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine

1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine (PubChem CID 66448579) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine
PubChem CID66448579
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine
SMILESCNC(c1ccc(Cl)cc1F)C(C)c1ccccn1
InChIInChI=1S/C15H16ClFN2/c1-10(14-5-3-4-8-19-14)15(18-2)12-7-6-11(16)9-13(12)17/h3-10,15,18H,1-2H3
InChIKeyBZZWWNQIJYQXDV-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine
CID 102883519
N-methyl-1-phenyl-2-pyridin-2-ylpropan-1-amine
CID 66447604
1-(2,5-dichlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446052
1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine
CID 103759854
N-ethyl-1-(2-fluorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66447023
2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine
CID 79757736
1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 107995601
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652
1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105022658
2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
CID 66453990
1-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 66460513
3-fluoro-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
CID 107714620

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine (CID 66448579) is 1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine is CNC(c1ccc(Cl)cc1F)C(C)c1ccccn1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine?
The InChIKey is BZZWWNQIJYQXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-10(14-5-3-4-8-19-14)15(18-2)12-7-6-11(16)9-13(12)17/h3-10,15,18H,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine?
1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine has a molecular weight of 278.76 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 66448579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).