2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine

C17H24N2OS — CID 115979384

IUPAC2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESCCCNCC(Cc1cccc(OC)c1)Cc1cncs1
InChIInChI=1S/C17H24N2OS/c1-3-7-18-11-15(10-17-12-19-13-21-17)8-14-5-4-6-16(9-14)20-2/h4-6,9,12-13,15,18H,3,7-8,10-11H2,1-2H3
InChIKeyGYTLIJOLKWQPTM-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.55
Rot. Bonds9

About 2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine

2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine (PubChem CID 115979384) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
PubChem CID115979384
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESCCCNCC(Cc1cccc(OC)c1)Cc1cncs1
InChIInChI=1S/C17H24N2OS/c1-3-7-18-11-15(10-17-12-19-13-21-17)8-14-5-4-6-16(9-14)20-2/h4-6,9,12-13,15,18H,3,7-8,10-11H2,1-2H3
InChIKeyGYTLIJOLKWQPTM-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.55
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-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine
CID 62999781
2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83148145
2-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979377
N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62530770
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62412977
1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642847
2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 63020146
1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 105177967
2-benzyl-3-phenyl-N-propylpropan-1-amine
CID 62530255
2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine
CID 83046234
N-[[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]methyl]propan-1-amine
CID 112644518
2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63521216

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine (CID 115979384) is 2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine is CCCNCC(Cc1cccc(OC)c1)Cc1cncs1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is GYTLIJOLKWQPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-7-18-11-15(10-17-12-19-13-21-17)8-14-5-4-6-16(9-14)20-2/h4-6,9,12-13,15,18H,3,7-8,10-11H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine?
2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 115979384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).