N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine

C17H19F2N — CID 115523981

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1ccc(C(F)F)cc1
InChIInChI=1S/C17H19F2N/c1-13(11-14-5-3-2-4-6-14)20-12-15-7-9-16(10-8-15)17(18)19/h2-10,13,17,20H,11-12H2,1H3
InChIKeyAPARFPSPOTXQAH-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.34
Rot. Bonds6

About N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine

N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine (PubChem CID 115523981) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine
PubChem CID115523981
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1ccc(C(F)F)cc1
InChIInChI=1S/C17H19F2N/c1-13(11-14-5-3-2-4-6-14)20-12-15-7-9-16(10-8-15)17(18)19/h2-10,13,17,20H,11-12H2,1H3
InChIKeyAPARFPSPOTXQAH-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63647039
4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63012099
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 63010555
N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine
CID 63010379
(1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine
CID 115524148
2-[4-[(1-phenylpropan-2-ylamino)methyl]phenoxy]acetonitrile
CID 63011584
(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol
CID 104709077
N-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine
CID 102910859
2-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzoic acid
CID 106700029
N-[(5-bromothiophen-3-yl)methyl]-1-phenylpropan-2-amine
CID 63010723

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine (CID 115523981) is N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine is CC(Cc1ccccc1)NCc1ccc(C(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine?
The InChIKey is APARFPSPOTXQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-13(11-14-5-3-2-4-6-14)20-12-15-7-9-16(10-8-15)17(18)19/h2-10,13,17,20H,11-12H2,1H3.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine?
N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine has a molecular weight of 275.34 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 115523981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).