(1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine

C13H22N2O — CID 78936500

IUPAC(1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine
SMILESCc1ccc(OCCN(C)C)c([C@H](C)N)c1
InChIInChI=1S/C13H22N2O/c1-10-5-6-13(12(9-10)11(2)14)16-8-7-15(3)4/h5-6,9,11H,7-8,14H2,1-4H3/t11-/m0/s1
InChIKeyRRUFZGMSWIRCQY-NSHDSACASA-N
MW222.33 g/mol
LogP1.96
Rot. Bonds5

About (1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine

(1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine (PubChem CID 78936500) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine
PubChem CID78936500
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine
SMILESCc1ccc(OCCN(C)C)c([C@H](C)N)c1
InChIInChI=1S/C13H22N2O/c1-10-5-6-13(12(9-10)11(2)14)16-8-7-15(3)4/h5-6,9,11H,7-8,14H2,1-4H3/t11-/m0/s1
InChIKeyRRUFZGMSWIRCQY-NSHDSACASA-N
XLogP1.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine
CID 43505039
(1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine
CID 63367823
1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine
CID 43504992
(1S)-1-[2-(3-fluoropropoxy)-5-methylphenyl]ethanamine
CID 81106656
1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114471489
(1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 104863256
6-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]hexan-1-ol
CID 107702679
4-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]butanenitrile
CID 78936428
1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine
CID 65176238
methyl 3-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]propanoate
CID 78955036
(1S)-1-(5-methyl-2-pent-3-ynoxyphenyl)ethanamine
CID 104805203
1-[2-(methoxymethoxy)-5-methylphenyl]ethanamine
CID 65365858

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine (CID 78936500) is (1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine is Cc1ccc(OCCN(C)C)c([C@H](C)N)c1.
What is the InChIKey of (1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine?
The InChIKey is RRUFZGMSWIRCQY-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-5-6-13(12(9-10)11(2)14)16-8-7-15(3)4/h5-6,9,11H,7-8,14H2,1-4H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine?
(1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine has a molecular weight of 222.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine is sourced from PubChem (CID 78936500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).