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

C17H20FN — CID 62529987

IUPAC2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CC(CN)Cc2cccc(F)c2)c1
InChIInChI=1S/C17H20FN/c1-13-4-2-5-14(8-13)9-16(12-19)10-15-6-3-7-17(18)11-15/h2-8,11,16H,9-10,12,19H2,1H3
InChIKeyRHYLZDASZNRJPL-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.49
Rot. Bonds5

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

2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine (PubChem CID 62529987) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
PubChem CID62529987
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CC(CN)Cc2cccc(F)c2)c1
InChIInChI=1S/C17H20FN/c1-13-4-2-5-14(8-13)9-16(12-19)10-15-6-3-7-17(18)11-15/h2-8,11,16H,9-10,12,19H2,1H3
InChIKeyRHYLZDASZNRJPL-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-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530586
2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529396
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62530380
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 103040965
2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530370
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62528800
2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62530589
2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 63496881
4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62529986
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
2-[(3-fluorophenyl)methyl]octan-1-amine
CID 62529193
1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-4-methylbenzene
CID 66041066

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine (CID 62529987) is 2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine is Cc1cccc(CC(CN)Cc2cccc(F)c2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
The InChIKey is RHYLZDASZNRJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-13-4-2-5-14(8-13)9-16(12-19)10-15-6-3-7-17(18)11-15/h2-8,11,16H,9-10,12,19H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
2-[(3-fluorophenyl)methyl]-3-(3-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-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 62529987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).