(1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine

C18H23NO — CID 81397936

IUPAC(1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1[C@@H](C)NCc1cc(C)ccc1C
InChIInChI=1S/C18H23NO/c1-13-9-10-14(2)16(11-13)12-19-15(3)17-7-5-6-8-18(17)20-4/h5-11,15,19H,12H2,1-4H3/t15-/m1/s1
InChIKeyOKJOCVAQZHZXPN-OAHLLOKOSA-N
MW269.39 g/mol
LogP4.16
Rot. Bonds5

About (1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine

(1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine (PubChem CID 81397936) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
PubChem CID81397936
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1[C@@H](C)NCc1cc(C)ccc1C
InChIInChI=1S/C18H23NO/c1-13-9-10-14(2)16(11-13)12-19-15(3)17-7-5-6-8-18(17)20-4/h5-11,15,19H,12H2,1-4H3/t15-/m1/s1
InChIKeyOKJOCVAQZHZXPN-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

1-(5-fluoro-2-methoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943695
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
(1S)-1-(2-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 81383795
(1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81398001
N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225415
N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine
CID 60684201
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79756686
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 62134908
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
4-[[1-(2-methoxyphenyl)ethylamino]methyl]benzene-1,3-diol
CID 43202064
1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315352
1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708293

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine (CID 81397936) is (1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine is COc1ccccc1[C@@H](C)NCc1cc(C)ccc1C.
What is the InChIKey of (1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine?
The InChIKey is OKJOCVAQZHZXPN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-9-10-14(2)16(11-13)12-19-15(3)17-7-5-6-8-18(17)20-4/h5-11,15,19H,12H2,1-4H3/t15-/m1/s1.
What are the key properties of (1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine?
(1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-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-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 81397936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).