1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine

C16H16ClF2NO — CID 62196739

IUPAC1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C16H16ClF2NO/c1-10(20)6-12-7-13(17)3-5-16(12)21-9-11-2-4-14(18)8-15(11)19/h2-5,7-8,10H,6,9,20H2,1H3
InChIKeyLXRFKSQKHSWNPZ-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.09
Rot. Bonds5

About 1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine

1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine (PubChem CID 62196739) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is 1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
PubChem CID62196739
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C16H16ClF2NO/c1-10(20)6-12-7-13(17)3-5-16(12)21-9-11-2-4-14(18)8-15(11)19/h2-5,7-8,10H,6,9,20H2,1H3
InChIKeyLXRFKSQKHSWNPZ-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196738
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 114857471
1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115984032
1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine
CID 114863411
1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
CID 114862732
1-[3-[(2,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79164687
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1-[2-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958685
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 114857545
(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 78933101
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine (CID 62196739) is 1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine is CC(N)Cc1cc(Cl)ccc1OCc1ccc(F)cc1F.
What is the InChIKey of 1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is LXRFKSQKHSWNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-10(20)6-12-7-13(17)3-5-16(12)21-9-11-2-4-14(18)8-15(11)19/h2-5,7-8,10H,6,9,20H2,1H3.
What are the key properties of 1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine?
1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine has a molecular weight of 311.76 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 62196739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).