2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine

C16H21FN2OS — CID 79433340

IUPAC2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCOCCNCC(Cc1cnc(C)s1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2OS/c1-12-19-11-16(21-12)9-14(10-18-7-8-20-2)13-3-5-15(17)6-4-13/h3-6,11,14,18H,7-10H2,1-2H3
InChIKeyLREIXAIEOYASBR-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.15
Rot. Bonds8

About 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine

2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 79433340) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID79433340
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC Name2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCOCCNCC(Cc1cnc(C)s1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2OS/c1-12-19-11-16(21-12)9-14(10-18-7-8-20-2)13-3-5-15(17)6-4-13/h3-6,11,14,18H,7-10H2,1-2H3
InChIKeyLREIXAIEOYASBR-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 79430683
2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-trimethylsilylpropan-1-amine
CID 106323752
2-(4-bromophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 79438116
2-methyl-N-[2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]propan-1-amine
CID 79430702
3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-(4-methylphenyl)propan-1-amine
CID 79430687
2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine
CID 79433328
2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 79433561
4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine
CID 79437143
N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine
CID 65431171
2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66026042
5-(3-bromo-2-phenylpropyl)-2-methyl-1,3-thiazole
CID 66042860
N-(2-methoxyethyl)-2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 63020328

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (CID 79433340) is 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is COCCNCC(Cc1cnc(C)s1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is LREIXAIEOYASBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c1-12-19-11-16(21-12)9-14(10-18-7-8-20-2)13-3-5-15(17)6-4-13/h3-6,11,14,18H,7-10H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 308.42 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 79433340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).