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

C18H23NO2 — CID 24688900

IUPAC1-(3,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-amine
SMILESCOc1ccc(C(N)C(C)(C)c2ccccc2)cc1OC
InChIInChI=1S/C18H23NO2/c1-18(2,14-8-6-5-7-9-14)17(19)13-10-11-15(20-3)16(12-13)21-4/h5-12,17H,19H2,1-4H3
InChIKeyXHHZFYSVIDCIIK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.68
Rot. Bonds5

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

1-(3,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-amine (PubChem CID 24688900) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-amine
PubChem CID24688900
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(3,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-amine
SMILESCOc1ccc(C(N)C(C)(C)c2ccccc2)cc1OC
InChIInChI=1S/C18H23NO2/c1-18(2,14-8-6-5-7-9-14)17(19)13-10-11-15(20-3)16(12-13)21-4/h5-12,17H,19H2,1-4H3
InChIKeyXHHZFYSVIDCIIK-UHFFFAOYSA-N
XLogP3.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine
CID 43474238
1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934449
methyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate
CID 116940265
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine
CID 66512512
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171250432
(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 131536439
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 43379636
[4-[(1R)-1-amino-2,2-dimethylpropyl]-2-methoxyphenyl] acetate
CID 171250068
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
(1S)-1-(3,4-dimethoxyphenyl)-2,2-difluoroethanamine
CID 28973213
1,2,2-tris(3,4-dimethoxyphenyl)ethanamine
CID 11396841

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-amine (CID 24688900) is 1-(3,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-amine is COc1ccc(C(N)C(C)(C)c2ccccc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-amine?
The InChIKey is XHHZFYSVIDCIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-18(2,14-8-6-5-7-9-14)17(19)13-10-11-15(20-3)16(12-13)21-4/h5-12,17H,19H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-amine?
1-(3,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 24688900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).