(2R)-N-[(2-fluoro-6-methoxyphenyl)methyl]-1-phenylpropan-2-amine

C17H20FNO — CID 70867035

IUPAC(2R)-N-[(2-fluoro-6-methoxyphenyl)methyl]-1-phenylpropan-2-amine
SMILESCOc1cccc(F)c1CN[C@H](C)Cc1ccccc1
InChIInChI=1S/C17H20FNO/c1-13(11-14-7-4-3-5-8-14)19-12-15-16(18)9-6-10-17(15)20-2/h3-10,13,19H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyVPJIPABPFWESEQ-CYBMUJFWSA-N
MW273.35 g/mol
LogP3.56
Rot. Bonds6

About (2R)-N-[(2-fluoro-6-methoxyphenyl)methyl]-1-phenylpropan-2-amine

(2R)-N-[(2-fluoro-6-methoxyphenyl)methyl]-1-phenylpropan-2-amine (PubChem CID 70867035) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (2R)-N-[(2-fluoro-6-methoxyphenyl)methyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(2-fluoro-6-methoxyphenyl)methyl]-1-phenylpropan-2-amine
PubChem CID70867035
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(2R)-N-[(2-fluoro-6-methoxyphenyl)methyl]-1-phenylpropan-2-amine
SMILESCOc1cccc(F)c1CN[C@H](C)Cc1ccccc1
InChIInChI=1S/C17H20FNO/c1-13(11-14-7-4-3-5-8-14)19-12-15-16(18)9-6-10-17(15)20-2/h3-10,13,19H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyVPJIPABPFWESEQ-CYBMUJFWSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine
CID 63010379
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
(2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine
CID 777013
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine
CID 65434992
N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine
CID 64602570
N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 43177297
N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63647039
(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
CID 7443154
(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119335132
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63012959

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-fluoro-6-methoxyphenyl)methyl]-1-phenylpropan-2-amine?
The IUPAC name of (2R)-N-[(2-fluoro-6-methoxyphenyl)methyl]-1-phenylpropan-2-amine (CID 70867035) is (2R)-N-[(2-fluoro-6-methoxyphenyl)methyl]-1-phenylpropan-2-amine.
What is the SMILES notation for (2R)-N-[(2-fluoro-6-methoxyphenyl)methyl]-1-phenylpropan-2-amine?
The canonical SMILES for (2R)-N-[(2-fluoro-6-methoxyphenyl)methyl]-1-phenylpropan-2-amine is COc1cccc(F)c1CN[C@H](C)Cc1ccccc1.
What is the InChIKey of (2R)-N-[(2-fluoro-6-methoxyphenyl)methyl]-1-phenylpropan-2-amine?
The InChIKey is VPJIPABPFWESEQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(11-14-7-4-3-5-8-14)19-12-15-16(18)9-6-10-17(15)20-2/h3-10,13,19H,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-N-[(2-fluoro-6-methoxyphenyl)methyl]-1-phenylpropan-2-amine?
(2R)-N-[(2-fluoro-6-methoxyphenyl)methyl]-1-phenylpropan-2-amine has a molecular weight of 273.35 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-fluoro-6-methoxyphenyl)methyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 70867035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).