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

C17H21NO — CID 78936316

IUPAC(1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
SMILESCc1ccc(C)c(COc2cccc([C@H](C)N)c2)c1
InChIInChI=1S/C17H21NO/c1-12-7-8-13(2)16(9-12)11-19-17-6-4-5-15(10-17)14(3)18/h4-10,14H,11,18H2,1-3H3/t14-/m0/s1
InChIKeyHEQZEGOHLKGZJN-AWEZNQCLSA-N
MW255.36 g/mol
LogP3.90
Rot. Bonds4

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

(1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine (PubChem CID 78936316) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
PubChem CID78936316
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
SMILESCc1ccc(C)c(COc2cccc([C@H](C)N)c2)c1
InChIInChI=1S/C17H21NO/c1-12-7-8-13(2)16(9-12)11-19-17-6-4-5-15(10-17)14(3)18/h4-10,14H,11,18H2,1-3H3/t14-/m0/s1
InChIKeyHEQZEGOHLKGZJN-AWEZNQCLSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine
CID 61482062
(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 30123362
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol
CID 83952092
4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine
CID 83952087
(1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 104894054
2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 61482133
1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63641471
(1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615235
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
(1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367375
(1R)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 78937008
1-[3-(2-fluoro-5-methylphenoxy)phenyl]ethanamine
CID 79167584

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine (CID 78936316) is (1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine is Cc1ccc(C)c(COc2cccc([C@H](C)N)c2)c1.
What is the InChIKey of (1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is HEQZEGOHLKGZJN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-7-8-13(2)16(9-12)11-19-17-6-4-5-15(10-17)14(3)18/h4-10,14H,11,18H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine?
(1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 78936316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).