(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine

C17H21NO2 — CID 42058451

IUPAC(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
SMILESCOc1ccc([C@H](N)Cc2ccccc2C)cc1OC
InChIInChI=1S/C17H21NO2/c1-12-6-4-5-7-13(12)10-15(18)14-8-9-16(19-2)17(11-14)20-3/h4-9,11,15H,10,18H2,1-3H3/t15-/m1/s1
InChIKeyBBBWZQLIGIACCP-OAHLLOKOSA-N
MW271.36 g/mol
LogP3.25
Rot. Bonds5

About (1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine

(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine (PubChem CID 42058451) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
PubChem CID42058451
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
SMILESCOc1ccc([C@H](N)Cc2ccccc2C)cc1OC
InChIInChI=1S/C17H21NO2/c1-12-6-4-5-7-13(12)10-15(18)14-8-9-16(19-2)17(11-14)20-3/h4-9,11,15H,10,18H2,1-3H3/t15-/m1/s1
InChIKeyBBBWZQLIGIACCP-OAHLLOKOSA-N
XLogP3.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
CID 43118218
1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 61078516
1-(4-fluoro-3-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 55137062
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine
CID 43318134
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 79698284
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105035532
2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 62606810
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
2-(2-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43100360
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylphenyl)ethanamine
CID 43115557
2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105020500

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of (1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine (CID 42058451) is (1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for (1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine is COc1ccc([C@H](N)Cc2ccccc2C)cc1OC.
What is the InChIKey of (1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine?
The InChIKey is BBBWZQLIGIACCP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-6-4-5-7-13(12)10-15(18)14-8-9-16(19-2)17(11-14)20-3/h4-9,11,15H,10,18H2,1-3H3/t15-/m1/s1.
What are the key properties of (1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine?
(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 42058451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).