(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine

C17H21NO — CID 93461868

IUPAC(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@H](N)Cc2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H21NO/c1-12-7-13(2)9-14(8-12)10-17(18)15-5-4-6-16(11-15)19-3/h4-9,11,17H,10,18H2,1-3H3/t17-/m1/s1
InChIKeyLGFHYNNNCWRVMF-QGZVFWFLSA-N
MW255.36 g/mol
LogP3.55
Rot. Bonds4

About (1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine

(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine (PubChem CID 93461868) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
PubChem CID93461868
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@H](N)Cc2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H21NO/c1-12-7-13(2)9-14(8-12)10-17(18)15-5-4-6-16(11-15)19-3/h4-9,11,17H,10,18H2,1-3H3/t17-/m1/s1
InChIKeyLGFHYNNNCWRVMF-QGZVFWFLSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine
CID 105086643
2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine
CID 61030374
2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine
CID 62607710
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine
CID 104800998
2-(3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43197699
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304819
1-(2-bromo-5-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 105098960
2-(2-bromophenyl)-1-(3-methoxyphenyl)ethanamine
CID 55026907

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine (CID 93461868) is (1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine is COc1cccc([C@H](N)Cc2cc(C)cc(C)c2)c1.
What is the InChIKey of (1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is LGFHYNNNCWRVMF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-7-13(2)9-14(8-12)10-17(18)15-5-4-6-16(11-15)19-3/h4-9,11,17H,10,18H2,1-3H3/t17-/m1/s1.
What are the key properties of (1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine?
(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 93461868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).