(1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine

C18H23NO — CID 78936431

IUPAC(1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine
SMILESCc1cc(C)cc(COc2ccc(C)cc2[C@H](C)N)c1
InChIInChI=1S/C18H23NO/c1-12-5-6-18(17(10-12)15(4)19)20-11-16-8-13(2)7-14(3)9-16/h5-10,15H,11,19H2,1-4H3/t15-/m0/s1
InChIKeyANWFWPUBLIOVOK-HNNXBMFYSA-N
MW269.39 g/mol
LogP4.21
Rot. Bonds4

About (1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine

(1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine (PubChem CID 78936431) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine
PubChem CID78936431
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine
SMILESCc1cc(C)cc(COc2ccc(C)cc2[C@H](C)N)c1
InChIInChI=1S/C18H23NO/c1-12-5-6-18(17(10-12)15(4)19)20-11-16-8-13(2)7-14(3)9-16/h5-10,15H,11,19H2,1-4H3/t15-/m0/s1
InChIKeyANWFWPUBLIOVOK-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

1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43505054
1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 63499604
(1S)-1-[2-[(4-ethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936783
1-[2-[(3-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43504983
1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 60887289
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]propan-2-amine
CID 63325862
(1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 78936782
(1R)-1-[2-[(3-bromo-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936734
(1S)-1-[2-[(3-chloro-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 103037859
1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 60890187
1-[2-(methoxymethoxy)-5-methylphenyl]ethanamine
CID 65365858
(1R)-1-[5-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63367368

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine (CID 78936431) is (1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine is Cc1cc(C)cc(COc2ccc(C)cc2[C@H](C)N)c1.
What is the InChIKey of (1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine?
The InChIKey is ANWFWPUBLIOVOK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-5-6-18(17(10-12)15(4)19)20-11-16-8-13(2)7-14(3)9-16/h5-10,15H,11,19H2,1-4H3/t15-/m0/s1.
What are the key properties of (1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine?
(1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-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-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine is sourced from PubChem (CID 78936431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).