1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine

C19H25NO3 — CID 12926482

IUPAC1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine
SMILESCOc1ccc(CC(C)(N)COCc2ccccc2)cc1OC
InChIInChI=1S/C19H25NO3/c1-19(20,14-23-13-15-7-5-4-6-8-15)12-16-9-10-17(21-2)18(11-16)22-3/h4-11H,12-14,20H2,1-3H3
InChIKeyOZOSPFGPAVWSKW-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.18
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine

1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine (PubChem CID 12926482) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine
PubChem CID12926482
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine
SMILESCOc1ccc(CC(C)(N)COCc2ccccc2)cc1OC
InChIInChI=1S/C19H25NO3/c1-19(20,14-23-13-15-7-5-4-6-8-15)12-16-9-10-17(21-2)18(11-16)22-3/h4-11H,12-14,20H2,1-3H3
InChIKeyOZOSPFGPAVWSKW-UHFFFAOYSA-N
XLogP3.18
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine
CID 113493311
2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 3831656
1-(3-fluoro-4-methoxyphenyl)-3-methoxy-2-methylpropan-2-amine
CID 62622774
1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine
CID 64572108
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol
CID 57223105
(2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine
CID 125466336
benzyl N-[1-(3,4-dimethoxyphenyl)-2-methoxypropan-2-yl]-2-oxo-2-phenylethanimidate
CID 70511160
3-methoxy-4-phenylmethoxyaniline
CID 27226
(2S)-2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid;1-phenylethanamine
CID 70584802
2-(3,4-dimethoxyphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464992

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine (CID 12926482) is 1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine is COc1ccc(CC(C)(N)COCc2ccccc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine?
The InChIKey is OZOSPFGPAVWSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-19(20,14-23-13-15-7-5-4-6-8-15)12-16-9-10-17(21-2)18(11-16)22-3/h4-11H,12-14,20H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine?
1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine has a molecular weight of 315.41 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine is sourced from PubChem (CID 12926482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).