N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine

C18H23NO2 — CID 22026275

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine
SMILESCOc1ccc(CNCC(C)c2ccccc2)cc1OC
InChIInChI=1S/C18H23NO2/c1-14(16-7-5-4-6-8-16)12-19-13-15-9-10-17(20-2)18(11-15)21-3/h4-11,14,19H,12-13H2,1-3H3
InChIKeyOAJVDAKPEHHXTJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.60
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine

N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine (PubChem CID 22026275) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine
PubChem CID22026275
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine
SMILESCOc1ccc(CNCC(C)c2ccccc2)cc1OC
InChIInChI=1S/C18H23NO2/c1-14(16-7-5-4-6-8-16)12-19-13-15-9-10-17(20-2)18(11-15)21-3/h4-11,14,19H,12-13H2,1-3H3
InChIKeyOAJVDAKPEHHXTJ-UHFFFAOYSA-N
XLogP3.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)propan-1-amine
CID 22026298
N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine
CID 60695260
N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
CID 43079999
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
1-[(3,4-dimethoxyphenyl)methylamino]propan-2-ol;oxalic acid
CID 45074838
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 65024222
2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115592709
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
N-[(3-chloro-4-methoxyphenyl)methyl]-3-phenylbutan-1-amine
CID 65021628
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763989

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine (CID 22026275) is N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine is COc1ccc(CNCC(C)c2ccccc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine?
The InChIKey is OAJVDAKPEHHXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(16-7-5-4-6-8-16)12-19-13-15-9-10-17(20-2)18(11-15)21-3/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine?
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 22026275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).