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

C17H24N2OS — CID 79430683

IUPACN-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCOCCNCC(Cc1cnc(C)s1)c1ccc(C)cc1
InChIInChI=1S/C17H24N2OS/c1-13-4-6-15(7-5-13)16(11-18-8-9-20-3)10-17-12-19-14(2)21-17/h4-7,12,16,18H,8-11H2,1-3H3
InChIKeyIVYCFWDPLOWWDU-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.32
Rot. Bonds8

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

N-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 79430683) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID79430683
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCOCCNCC(Cc1cnc(C)s1)c1ccc(C)cc1
InChIInChI=1S/C17H24N2OS/c1-13-4-6-15(7-5-13)16(11-18-8-9-20-3)10-17-12-19-14(2)21-17/h4-7,12,16,18H,8-11H2,1-3H3
InChIKeyIVYCFWDPLOWWDU-UHFFFAOYSA-N
XLogP3.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.32
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

2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 79433340
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-bromophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 79438116
4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine
CID 79437143
2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 79433561
N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine
CID 65431171
3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 103984749
2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-trimethylsilylpropan-1-amine
CID 106323752
2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644193
2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66026042
2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 79416846

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (CID 79430683) is N-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is COCCNCC(Cc1cnc(C)s1)c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is IVYCFWDPLOWWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-13-4-6-15(7-5-13)16(11-18-8-9-20-3)10-17-12-19-14(2)21-17/h4-7,12,16,18H,8-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
N-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 79430683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).