(1R)-2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine

C19H29N3O3S — CID 146179187

IUPAC(1R)-2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
SMILESCNCCOCCOCCOC[C@H](N)c1ccc(-c2scnc2C)cc1
InChIInChI=1S/C19H29N3O3S/c1-15-19(26-14-22-15)17-5-3-16(4-6-17)18(20)13-25-12-11-24-10-9-23-8-7-21-2/h3-6,14,18,21H,7-13,20H2,1-2H3/t18-/m0/s1
InChIKeyGKRLLKMKGMSKQP-SFHVURJKSA-N
MW379.53 g/mol
LogP2.39
Rot. Bonds13

About (1R)-2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine

(1R)-2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine (PubChem CID 146179187) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is (1R)-2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
PubChem CID146179187
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name(1R)-2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
SMILESCNCCOCCOCCOC[C@H](N)c1ccc(-c2scnc2C)cc1
InChIInChI=1S/C19H29N3O3S/c1-15-19(26-14-22-15)17-5-3-16(4-6-17)18(20)13-25-12-11-24-10-9-23-8-7-21-2/h3-6,14,18,21H,7-13,20H2,1-2H3/t18-/m0/s1
InChIKeyGKRLLKMKGMSKQP-SFHVURJKSA-N
XLogP2.39
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propoxy]ethoxy]ethoxy]ethanamine
CID 146179209
2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 176572970
methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168909958
(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethane-1,1-diol
CID 178069167
(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 156873324
N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine
CID 142573108
(3S)-3-amino-N-(6-aminohexyl)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanamide
CID 167039816
tert-butyl N-[(1R)-2-(3,3-dimethylbutoxy)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamate
CID 176629165
formaldehyde;N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 163374182
2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol
CID 167256669
[(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
CID 174157567
(2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]butyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 157022739

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine?
The IUPAC name of (1R)-2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine (CID 146179187) is (1R)-2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine is CNCCOCCOCCOC[C@H](N)c1ccc(-c2scnc2C)cc1.
What is the InChIKey of (1R)-2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine?
The InChIKey is GKRLLKMKGMSKQP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-15-19(26-14-22-15)17-5-3-16(4-6-17)18(20)13-25-12-11-24-10-9-23-8-7-21-2/h3-6,14,18,21H,7-13,20H2,1-2H3/t18-/m0/s1.
What are the key properties of (1R)-2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine?
(1R)-2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine has a molecular weight of 379.53 g/mol, XLogP of 2.39, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine is sourced from PubChem (CID 146179187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).