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

C23H24FNO — CID 112539065

IUPAC2-(2-fluorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-amine
SMILESCc1cccc(COc2ccc(CC(CN)c3ccccc3F)cc2)c1
InChIInChI=1S/C23H24FNO/c1-17-5-4-6-19(13-17)16-26-21-11-9-18(10-12-21)14-20(15-25)22-7-2-3-8-23(22)24/h2-13,20H,14-16,25H2,1H3
InChIKeyGUBVTPNGDVXXJU-UHFFFAOYSA-N
MW349.45 g/mol
LogP5.00
Rot. Bonds7

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

2-(2-fluorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-amine (PubChem CID 112539065) has the molecular formula C23H24FNO and a molecular weight of 349.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-amine
PubChem CID112539065
Molecular FormulaC23H24FNO
Molecular Weight349.45 g/mol
Exact Mass349.18
IUPAC Name2-(2-fluorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-amine
SMILESCc1cccc(COc2ccc(CC(CN)c3ccccc3F)cc2)c1
InChIInChI=1S/C23H24FNO/c1-17-5-4-6-19(13-17)16-26-21-11-9-18(10-12-21)14-20(15-25)22-7-2-3-8-23(22)24/h2-13,20H,14-16,25H2,1H3
InChIKeyGUBVTPNGDVXXJU-UHFFFAOYSA-N
XLogP5.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine
CID 83975870
2-(2-fluorophenyl)-3-(4-hexoxyphenyl)propan-1-amine
CID 83975523
1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 107715958
3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine
CID 79448953
2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene
CID 3743776
2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83972875
1-methyl-3-[[4-[[4-[(3-methylphenyl)methoxy]phenyl]disulfanyl]phenoxy]methyl]benzene
CID 146262404
2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83974956
2-(2-fluorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 79448882
2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 83975158
2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 112615255
4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine
CID 82138148

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-amine (CID 112539065) is 2-(2-fluorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-amine is Cc1cccc(COc2ccc(CC(CN)c3ccccc3F)cc2)c1.
What is the InChIKey of 2-(2-fluorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-amine?
The InChIKey is GUBVTPNGDVXXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO/c1-17-5-4-6-19(13-17)16-26-21-11-9-18(10-12-21)14-20(15-25)22-7-2-3-8-23(22)24/h2-13,20H,14-16,25H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-amine?
2-(2-fluorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-amine has a molecular weight of 349.45 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 112539065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).