2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine

C18H21F2N — CID 105408067

IUPAC2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
SMILESCNCC(Cc1cccc(C)c1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C18H21F2N/c1-13-4-3-5-14(6-13)7-16(12-21-2)8-15-9-17(19)11-18(20)10-15/h3-6,9-11,16,21H,7-8,12H2,1-2H3
InChIKeyYRGPIPQFDYLPSX-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.89
Rot. Bonds6

About 2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine

2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine (PubChem CID 105408067) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
PubChem CID105408067
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
SMILESCNCC(Cc1cccc(C)c1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C18H21F2N/c1-13-4-3-5-14(6-13)7-16(12-21-2)8-15-9-17(19)11-18(20)10-15/h3-6,9-11,16,21H,7-8,12H2,1-2H3
InChIKeyYRGPIPQFDYLPSX-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 114348807
2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 62515206
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 63522087
N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine
CID 55082726
2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine
CID 83182297
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
2-[(2-methoxyphenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 62515411
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62514359
3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 105408371
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 104810501
3-[(3-fluorophenyl)methyl]-4-(methylamino)butanoic acid
CID 155217766

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine (CID 105408067) is 2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine is CNCC(Cc1cccc(C)c1)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine?
The InChIKey is YRGPIPQFDYLPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-13-4-3-5-14(6-13)7-16(12-21-2)8-15-9-17(19)11-18(20)10-15/h3-6,9-11,16,21H,7-8,12H2,1-2H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine?
2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 105408067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).