1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine

C16H17ClFNO — CID 114863411

IUPAC1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine
SMILESCc1cc(F)ccc1Oc1ccc(Cl)cc1CC(C)N
InChIInChI=1S/C16H17ClFNO/c1-10-7-14(18)4-6-15(10)20-16-5-3-13(17)9-12(16)8-11(2)19/h3-7,9,11H,8,19H2,1-2H3
InChIKeyWVXFUDPGMHKSKQ-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.47
Rot. Bonds4

About 1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine

1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine (PubChem CID 114863411) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine
PubChem CID114863411
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine
SMILESCc1cc(F)ccc1Oc1ccc(Cl)cc1CC(C)N
InChIInChI=1S/C16H17ClFNO/c1-10-7-14(18)4-6-15(10)20-16-5-3-13(17)9-12(16)8-11(2)19/h3-7,9,11H,8,19H2,1-2H3
InChIKeyWVXFUDPGMHKSKQ-UHFFFAOYSA-N
XLogP4.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
CID 114862732
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167
1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine
CID 114862724
1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196739
1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine
CID 114863110
1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63804291
(1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine
CID 29275289
1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 114862972
1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63802818
1-[2-(3-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
CID 114863443
1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine
CID 114862910
1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine
CID 107726942

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine (CID 114863411) is 1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine is Cc1cc(F)ccc1Oc1ccc(Cl)cc1CC(C)N.
What is the InChIKey of 1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine?
The InChIKey is WVXFUDPGMHKSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-7-14(18)4-6-15(10)20-16-5-3-13(17)9-12(16)8-11(2)19/h3-7,9,11H,8,19H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine?
1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine has a molecular weight of 293.77 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 114863411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).