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

C18H23NO2 — CID 82002712

IUPAC(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine
SMILESCOc1ccc([C@@H](C)N)c(OCc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23NO2/c1-12-5-6-15(9-13(12)2)11-21-18-10-16(20-4)7-8-17(18)14(3)19/h5-10,14H,11,19H2,1-4H3/t14-/m1/s1
InChIKeyCHJRPBTURQBNRW-CQSZACIVSA-N
MW285.39 g/mol
LogP3.91
Rot. Bonds5

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

(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine (PubChem CID 82002712) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine
PubChem CID82002712
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine
SMILESCOc1ccc([C@@H](C)N)c(OCc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23NO2/c1-12-5-6-15(9-13(12)2)11-21-18-10-16(20-4)7-8-17(18)14(3)19/h5-10,14H,11,19H2,1-4H3/t14-/m1/s1
InChIKeyCHJRPBTURQBNRW-CQSZACIVSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine with MolForge

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Related Compounds

(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82003422
(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78946962
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63650101
(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947366
3-[[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]methyl]benzonitrile
CID 82000539
(1S)-1-[5-chloro-2-[(3,4-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78932855
(1R)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 82000982
(1R)-1-[4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanamine
CID 82000081
(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104647162
(1R)-1-[4-methoxy-2-(2-propan-2-ylsulfanylethoxy)phenyl]ethanamine
CID 114268547
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
(1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82001527

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine?
The IUPAC name of (1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine (CID 82002712) is (1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine is COc1ccc([C@@H](C)N)c(OCc2ccc(C)c(C)c2)c1.
What is the InChIKey of (1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine?
The InChIKey is CHJRPBTURQBNRW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-5-6-15(9-13(12)2)11-21-18-10-16(20-4)7-8-17(18)14(3)19/h5-10,14H,11,19H2,1-4H3/t14-/m1/s1.
What are the key properties of (1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine?
(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 82002712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).