N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine

C18H23NO2 — CID 62050261

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine
SMILESCCC(NCc1cc(OC)ccc1OC)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-4-17(14-8-6-5-7-9-14)19-13-15-12-16(20-2)10-11-18(15)21-3/h5-12,17,19H,4,13H2,1-3H3
InChIKeySUFBYCXNEDBCAA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.94
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine

N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine (PubChem CID 62050261) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine
PubChem CID62050261
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine
SMILESCCC(NCc1cc(OC)ccc1OC)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-4-17(14-8-6-5-7-9-14)19-13-15-12-16(20-2)10-11-18(15)21-3/h5-12,17,19H,4,13H2,1-3H3
InChIKeySUFBYCXNEDBCAA-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156110
2-[(2,5-dimethoxyphenyl)methylamino]butanoic acid
CID 82364659
(3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449960
N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62048590
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 17156114
3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol
CID 111449137
(2R)-2-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 51690896
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848825
N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115623243
1-[(2,5-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384341
2-[(1-phenylpropylamino)methyl]phenol
CID 62305715

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine (CID 62050261) is N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine is CCC(NCc1cc(OC)ccc1OC)c1ccccc1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine?
The InChIKey is SUFBYCXNEDBCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-17(14-8-6-5-7-9-14)19-13-15-12-16(20-2)10-11-18(15)21-3/h5-12,17,19H,4,13H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine?
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 62050261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).