3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine

C16H17ClFNO — CID 103049191

IUPAC3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine
SMILESCOC(c1ccccc1)C(N)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H17ClFNO/c1-20-16(11-5-3-2-4-6-11)15(19)10-12-9-13(17)7-8-14(12)18/h2-9,15-16H,10,19H2,1H3
InChIKeyLZYSFFIXCULKDX-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.74
Rot. Bonds5

About 3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine

3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine (PubChem CID 103049191) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine
PubChem CID103049191
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine
SMILESCOC(c1ccccc1)C(N)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H17ClFNO/c1-20-16(11-5-3-2-4-6-11)15(19)10-12-9-13(17)7-8-14(12)18/h2-9,15-16H,10,19H2,1H3
InChIKeyLZYSFFIXCULKDX-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756862
1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine
CID 114843607
3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 103049752
1-methoxy-5-methyl-1-phenylhexan-2-amine
CID 116772767
(1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine
CID 12051472
1-(2,5-difluorophenyl)-2-methoxy-2-phenylethanamine
CID 116772931
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)propan-2-amine
CID 62605724
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753
2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134
2-(3-bromo-3-phenylpropyl)-4-chloro-1-fluorobenzene
CID 103049485
1-(5-chloro-2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 103048816
2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
CID 103049616

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine (CID 103049191) is 3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine is COC(c1ccccc1)C(N)Cc1cc(Cl)ccc1F.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine?
The InChIKey is LZYSFFIXCULKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-20-16(11-5-3-2-4-6-11)15(19)10-12-9-13(17)7-8-14(12)18/h2-9,15-16H,10,19H2,1H3.
What are the key properties of 3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine?
3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine has a molecular weight of 293.77 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine is sourced from PubChem (CID 103049191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).