3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

C15H19ClN2OS — CID 83977361

IUPAC3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2nc(C)cs2)cc1Cl
InChIInChI=1S/C15H19ClN2OS/c1-3-19-14-5-4-11(7-13(14)16)6-12(8-17)15-18-10(2)9-20-15/h4-5,7,9,12H,3,6,8,17H2,1-2H3
InChIKeyWHMOOCNOIPLDLT-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.79
Rot. Bonds6

About 3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 83977361) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID83977361
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2nc(C)cs2)cc1Cl
InChIInChI=1S/C15H19ClN2OS/c1-3-19-14-5-4-11(7-13(14)16)6-12(8-17)15-18-10(2)9-20-15/h4-5,7,9,12H,3,6,8,17H2,1-2H3
InChIKeyWHMOOCNOIPLDLT-UHFFFAOYSA-N
XLogP3.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol
CID 83977365
3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977408
3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977058
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417
3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977399
3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977396
4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol
CID 83973519
3-(3-chloro-4-ethoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973712
3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine
CID 83976138
3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine
CID 83976420
3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974913
2-(3-chloro-4-ethoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
CID 83973518

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 83977361) is 3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is CCOc1ccc(CC(CN)c2nc(C)cs2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is WHMOOCNOIPLDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-3-19-14-5-4-11(7-13(14)16)6-12(8-17)15-18-10(2)9-20-15/h4-5,7,9,12H,3,6,8,17H2,1-2H3.
What are the key properties of 3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 310.85 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 83977361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).