1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine

C17H19F2NO — CID 115794124

IUPAC1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H19F2NO/c1-20-16(12-7-13-5-3-2-4-6-13)14-8-10-15(11-9-14)21-17(18)19/h2-6,8-11,16-17,20H,7,12H2,1H3
InChIKeyZOJQRUSMKKZPFN-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.18
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine

1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine (PubChem CID 115794124) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine
PubChem CID115794124
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H19F2NO/c1-20-16(12-7-13-5-3-2-4-6-13)14-8-10-15(11-9-14)21-17(18)19/h2-6,8-11,16-17,20H,7,12H2,1H3
InChIKeyZOJQRUSMKKZPFN-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine
CID 115787231
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 43480559
N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine
CID 115794332
1-[4-(difluoromethoxy)phenyl]-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030570
3-(3-methoxyphenyl)-N-methyl-1-phenylpropan-1-amine
CID 54891056
1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 107991975
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide
CID 112814215
N-methyl-3-naphthalen-2-yl-1-phenylpropan-1-amine
CID 64500131
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529
1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794186
1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794283

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine (CID 115794124) is 1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine is CNC(CCc1ccccc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine?
The InChIKey is ZOJQRUSMKKZPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-20-16(12-7-13-5-3-2-4-6-13)14-8-10-15(11-9-14)21-17(18)19/h2-6,8-11,16-17,20H,7,12H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine?
1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine has a molecular weight of 291.34 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 115794124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).