2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine

C17H20FN — CID 62530380

IUPAC2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CC(CN)Cc1cccc(F)c1
InChIInChI=1S/C17H20FN/c1-13-5-2-3-7-16(13)10-15(12-19)9-14-6-4-8-17(18)11-14/h2-8,11,15H,9-10,12,19H2,1H3
InChIKeyCUOVXQCBLLPLLK-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.49
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine

2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine (PubChem CID 62530380) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
PubChem CID62530380
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CC(CN)Cc1cccc(F)c1
InChIInChI=1S/C17H20FN/c1-13-5-2-3-7-16(13)10-15(12-19)9-14-6-4-8-17(18)11-14/h2-8,11,15H,9-10,12,19H2,1H3
InChIKeyCUOVXQCBLLPLLK-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62530589
2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529396
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62529007
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62528800
2-[(4-ethylphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 63496886
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004
[1-(3-fluorophenyl)-3-(2-methylphenyl)propan-2-yl]hydrazine
CID 105204751
2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 102858638
2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530586
2-[2-(chloromethyl)-3-(3-fluorophenyl)propyl]-4-fluoro-1-methylbenzene
CID 105376010
2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 63496881

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine (CID 62530380) is 2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine is Cc1ccccc1CC(CN)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine?
The InChIKey is CUOVXQCBLLPLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-13-5-2-3-7-16(13)10-15(12-19)9-14-6-4-8-17(18)11-14/h2-8,11,15H,9-10,12,19H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine?
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 62530380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).