(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine

C18H23NO — CID 81371074

IUPAC(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCc2cccc(C)c2C)cc1
InChIInChI=1S/C18H23NO/c1-13-6-5-7-17(14(13)2)12-19-15(3)16-8-10-18(20-4)11-9-16/h5-11,15,19H,12H2,1-4H3/t15-/m1/s1
InChIKeyZVKBALMVGJFGJU-OAHLLOKOSA-N
MW269.39 g/mol
LogP4.16
Rot. Bonds5

About (1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine

(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 81371074) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID81371074
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCc2cccc(C)c2C)cc1
InChIInChI=1S/C18H23NO/c1-13-6-5-7-17(14(13)2)12-19-15(3)16-8-10-18(20-4)11-9-16/h5-11,15,19H,12H2,1-4H3/t15-/m1/s1
InChIKeyZVKBALMVGJFGJU-OAHLLOKOSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 60960692
3-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]benzene-1,2-diol
CID 81370718
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406440
2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline
CID 66417891
2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367015
N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline
CID 54944362
(1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81367023
N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66241780
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365032
1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55056902
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66242816
1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103792828

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine (CID 81371074) is (1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@@H](C)NCc2cccc(C)c2C)cc1.
What is the InChIKey of (1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is ZVKBALMVGJFGJU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-6-5-7-17(14(13)2)12-19-15(3)16-8-10-18(20-4)11-9-16/h5-11,15,19H,12H2,1-4H3/t15-/m1/s1.
What are the key properties of (1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 81371074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).