1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine

C16H16ClF2NO — CID 114857545

IUPAC1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cccc(F)c1OCc1ccc(Cl)cc1F
InChIInChI=1S/C16H16ClF2NO/c1-10(20)7-11-3-2-4-14(18)16(11)21-9-12-5-6-13(17)8-15(12)19/h2-6,8,10H,7,9,20H2,1H3
InChIKeyVDBIALKCYMCSEO-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.09
Rot. Bonds5

About 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine

1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine (PubChem CID 114857545) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
PubChem CID114857545
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cccc(F)c1OCc1ccc(Cl)cc1F
InChIInChI=1S/C16H16ClF2NO/c1-10(20)7-11-3-2-4-14(18)16(11)21-9-12-5-6-13(17)8-15(12)19/h2-6,8,10H,7,9,20H2,1H3
InChIKeyVDBIALKCYMCSEO-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-[2-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958685
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317
1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958703
1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115958647
1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115984032
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 114857471
1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196739
1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine
CID 115958705
1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958056
1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
CID 112615919
1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958090
1-(bromomethyl)-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzene
CID 114850389

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine (CID 114857545) is 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine is CC(N)Cc1cccc(F)c1OCc1ccc(Cl)cc1F.
What is the InChIKey of 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine?
The InChIKey is VDBIALKCYMCSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-10(20)7-11-3-2-4-14(18)16(11)21-9-12-5-6-13(17)8-15(12)19/h2-6,8,10H,7,9,20H2,1H3.
What are the key properties of 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine?
1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]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-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine is sourced from PubChem (CID 114857545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).