1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine

C16H17F2NO — CID 115794253

IUPAC1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine
SMILESNC(CCc1ccccc1)c1ccccc1OC(F)F
InChIInChI=1S/C16H17F2NO/c17-16(18)20-15-9-5-4-8-13(15)14(19)11-10-12-6-2-1-3-7-12/h1-9,14,16H,10-11,19H2
InChIKeyNZMVARHWUVQPFD-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.92
Rot. Bonds6

About 1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine

1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine (PubChem CID 115794253) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine
PubChem CID115794253
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine
SMILESNC(CCc1ccccc1)c1ccccc1OC(F)F
InChIInChI=1S/C16H17F2NO/c17-16(18)20-15-9-5-4-8-13(15)14(19)11-10-12-6-2-1-3-7-12/h1-9,14,16H,10-11,19H2
InChIKeyNZMVARHWUVQPFD-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-[2-(difluoromethoxy)phenyl]butanoic acid
CID 117364212
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol
CID 65150664
(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171211366
3-phenyl-1-(2-propoxyphenyl)propan-1-amine
CID 104659951
1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine
CID 61078331
1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine
CID 43194104
1-(2-chlorophenyl)-3-phenylpropan-1-amine
CID 54014885
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171022
(1R)-1-[2-(difluoromethoxy)phenyl]-3-methylbut-3-en-1-amine;hydrochloride
CID 171211394
1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine
CID 16794692

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine (CID 115794253) is 1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine is NC(CCc1ccccc1)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine?
The InChIKey is NZMVARHWUVQPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c17-16(18)20-15-9-5-4-8-13(15)14(19)11-10-12-6-2-1-3-7-12/h1-9,14,16H,10-11,19H2.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine?
1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine has a molecular weight of 277.31 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 115794253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).