(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine

C18H23NO — CID 63650101

IUPAC(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
SMILESCc1ccc([C@H](C)N)c(OCc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23NO/c1-12-5-8-17(15(4)19)18(9-12)20-11-16-7-6-13(2)14(3)10-16/h5-10,15H,11,19H2,1-4H3/t15-/m0/s1
InChIKeyCIJSPBWVWAEILM-HNNXBMFYSA-N
MW269.39 g/mol
LogP4.21
Rot. Bonds4

About (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine

(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine (PubChem CID 63650101) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
PubChem CID63650101
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
SMILESCc1ccc([C@H](C)N)c(OCc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23NO/c1-12-5-8-17(15(4)19)18(9-12)20-11-16-7-6-13(2)14(3)10-16/h5-10,15H,11,19H2,1-4H3/t15-/m0/s1
InChIKeyCIJSPBWVWAEILM-HNNXBMFYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78946962
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine
CID 82002712
1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63641471
(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947366
(1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947420
4-[[2-[(1R)-1-aminoethyl]-5-methylphenoxy]methyl]benzonitrile
CID 63639624
(1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 78947153
(1S)-1-[5-chloro-2-[(3,4-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78932855
1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43505054
4-[[2-[(1S)-1-aminoethyl]-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 78953385
4-[[2-[(1R)-1-aminoethyl]-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 63888861

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine (CID 63650101) is (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine is Cc1ccc([C@H](C)N)c(OCc2ccc(C)c(C)c2)c1.
What is the InChIKey of (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine?
The InChIKey is CIJSPBWVWAEILM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-5-8-17(15(4)19)18(9-12)20-11-16-7-6-13(2)14(3)10-16/h5-10,15H,11,19H2,1-4H3/t15-/m0/s1.
What are the key properties of (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine?
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine is sourced from PubChem (CID 63650101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).