N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine

C16H17F2N — CID 63010379

IUPACN-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1c(F)cccc1F
InChIInChI=1S/C16H17F2N/c1-12(10-13-6-3-2-4-7-13)19-11-14-15(17)8-5-9-16(14)18/h2-9,12,19H,10-11H2,1H3
InChIKeyMIAQXVCJABPQPY-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.69
Rot. Bonds5

About N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine

N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine (PubChem CID 63010379) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine
PubChem CID63010379
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC NameN-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1c(F)cccc1F
InChIInChI=1S/C16H17F2N/c1-12(10-13-6-3-2-4-7-13)19-11-14-15(17)8-5-9-16(14)18/h2-9,12,19H,10-11H2,1H3
InChIKeyMIAQXVCJABPQPY-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-[(2-fluoro-6-methoxyphenyl)methyl]-1-phenylpropan-2-amine
CID 70867035
N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 43177297
(2R)-2-N-[(2,6-difluorophenyl)methyl]propane-1,2-diamine
CID 104868138
N-[(2,6-difluorophenyl)methyl]pentan-2-amine
CID 43177727
N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63647039
4-chloro-N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 114934206
(2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine
CID 777013
3-[[[(2S)-1-(2,6-difluorophenyl)propan-2-yl]amino]methyl]phenol
CID 93362092
4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol
CID 60943467
1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 54864314
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54952882

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine (CID 63010379) is N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine is CC(Cc1ccccc1)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine?
The InChIKey is MIAQXVCJABPQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-12(10-13-6-3-2-4-7-13)19-11-14-15(17)8-5-9-16(14)18/h2-9,12,19H,10-11H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine?
N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine has a molecular weight of 261.31 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 63010379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).