2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine

C17H19F2N — CID 62530586

IUPAC2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CC(CN)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C17H19F2N/c1-12-3-2-4-13(7-12)8-14(11-20)9-15-5-6-16(18)10-17(15)19/h2-7,10,14H,8-9,11,20H2,1H3
InChIKeyPPUPMPJPLBZMAI-UHFFFAOYSA-N
MW275.34 g/mol
LogP3.63
Rot. Bonds5

About 2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine

2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine (PubChem CID 62530586) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
PubChem CID62530586
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CC(CN)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C17H19F2N/c1-12-3-2-4-13(7-12)8-14(11-20)9-15-5-6-16(18)10-17(15)19/h2-7,10,14H,8-9,11,20H2,1H3
InChIKeyPPUPMPJPLBZMAI-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62528800
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 103040965
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62530380
2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530370
2-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 114348807
2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62530589
2-[(2,4-difluorophenyl)methyl]pentan-1-amine
CID 62505725
2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 66059065
2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
CID 63496703
2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529396
2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 102621201

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine (CID 62530586) is 2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine is Cc1cccc(CC(CN)Cc2ccc(F)cc2F)c1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
The InChIKey is PPUPMPJPLBZMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-12-3-2-4-13(7-12)8-14(11-20)9-15-5-6-16(18)10-17(15)19/h2-7,10,14H,8-9,11,20H2,1H3.
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine has a molecular weight of 275.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 62530586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).