(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine

C17H20FNO — CID 7443154

IUPAC(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(C[C@@H](C)NCc2cccc(F)c2)cc1
InChIInChI=1S/C17H20FNO/c1-13(10-14-6-8-17(20-2)9-7-14)19-12-15-4-3-5-16(18)11-15/h3-9,11,13,19H,10,12H2,1-2H3/t13-/m1/s1
InChIKeyVSSNXANCALBEDA-CYBMUJFWSA-N
MW273.35 g/mol
LogP3.56
Rot. Bonds6

About (2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine

(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine (PubChem CID 7443154) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
PubChem CID7443154
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(C[C@@H](C)NCc2cccc(F)c2)cc1
InChIInChI=1S/C17H20FNO/c1-13(10-14-6-8-17(20-2)9-7-14)19-12-15-4-3-5-16(18)11-15/h3-9,11,13,19H,10,12H2,1-2H3/t13-/m1/s1
InChIKeyVSSNXANCALBEDA-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

1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
[3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 103781729
[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 107230230
1-[2-(chloromethyl)-3-(3-fluorophenyl)propyl]-4-methoxybenzene
CID 66036179
N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956826
1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115592338
N-[(3-fluorophenyl)methyl]pent-4-en-2-amine
CID 115633143
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494579
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine
CID 115708475
N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine
CID 115711421
N-[(3-fluorophenyl)methyl]hex-5-en-2-amine
CID 75525500

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of (2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine (CID 7443154) is (2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for (2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for (2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine is COc1ccc(C[C@@H](C)NCc2cccc(F)c2)cc1.
What is the InChIKey of (2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine?
The InChIKey is VSSNXANCALBEDA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(10-14-6-8-17(20-2)9-7-14)19-12-15-4-3-5-16(18)11-15/h3-9,11,13,19H,10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine?
(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-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-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 7443154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).