3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine

C16H18FNO — CID 82812600

IUPAC3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine
SMILESCOc1cccc(CC(CN)c2ccccc2)c1F
InChIInChI=1S/C16H18FNO/c1-19-15-9-5-8-13(16(15)17)10-14(11-18)12-6-3-2-4-7-12/h2-9,14H,10-11,18H2,1H3
InChIKeyMVLREXFNJMPGQK-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.12
Rot. Bonds5

About 3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine

3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine (PubChem CID 82812600) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine
PubChem CID82812600
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine
SMILESCOc1cccc(CC(CN)c2ccccc2)c1F
InChIInChI=1S/C16H18FNO/c1-19-15-9-5-8-13(16(15)17)10-14(11-18)12-6-3-2-4-7-12/h2-9,14H,10-11,18H2,1H3
InChIKeyMVLREXFNJMPGQK-UHFFFAOYSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine
CID 104794588
2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83973785
2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine
CID 79443596
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
4-(2-methoxyphenyl)-2-phenylbutan-1-amine
CID 81010261
3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 104794718
1-[3-bromo-2-(3-methylphenyl)propyl]-2-fluoro-3-methoxybenzene
CID 104795529
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine
CID 82160440
1-[3-chloro-2-(2-fluorophenyl)propyl]-2-fluoro-3-methoxybenzene
CID 104795544
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035625

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine?
The IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine (CID 82812600) is 3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine?
The canonical SMILES for 3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine is COc1cccc(CC(CN)c2ccccc2)c1F.
What is the InChIKey of 3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine?
The InChIKey is MVLREXFNJMPGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-19-15-9-5-8-13(16(15)17)10-14(11-18)12-6-3-2-4-7-12/h2-9,14H,10-11,18H2,1H3.
What are the key properties of 3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine?
3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine has a molecular weight of 259.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine is sourced from PubChem (CID 82812600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).