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

C17H19F2N — CID 82930150

IUPAC2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CC(CN)Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H19F2N/c1-12-2-4-13(5-3-12)8-15(11-20)9-14-6-7-16(18)17(19)10-14/h2-7,10,15H,8-9,11,20H2,1H3
InChIKeyCBCHNOBZMVYPLZ-UHFFFAOYSA-N
MW275.34 g/mol
LogP3.63
Rot. Bonds5

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

2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine (PubChem CID 82930150) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
PubChem CID82930150
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CC(CN)Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H19F2N/c1-12-2-4-13(5-3-12)8-15(11-20)9-14-6-7-16(18)17(19)10-14/h2-7,10,15H,8-9,11,20H2,1H3
InChIKeyCBCHNOBZMVYPLZ-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

3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 82929801
2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
2-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496513
2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530370
2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496149
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 103040965
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 62503999
4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62505527
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004
4-[1-bromo-2-(4-methylphenyl)ethyl]-1,2-difluorobenzene
CID 55218629
2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine
CID 107897068

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine (CID 82930150) is 2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine is Cc1ccc(CC(CN)Cc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine?
The InChIKey is CBCHNOBZMVYPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-12-2-4-13(5-3-12)8-15(11-20)9-14-6-7-16(18)17(19)10-14/h2-7,10,15H,8-9,11,20H2,1H3.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine?
2-[(3,4-difluorophenyl)methyl]-3-(4-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-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 82930150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).