2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine

C15H20N2OS — CID 112640397

IUPAC2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccccc1OCc1cncs1
InChIInChI=1S/C15H20N2OS/c1-15(2,3)17-8-12-6-4-5-7-14(12)18-10-13-9-16-11-19-13/h4-7,9,11,17H,8,10H2,1-3H3
InChIKeyZCFVAPXACDWDEL-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.61
Rot. Bonds5

About 2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine

2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 112640397) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID112640397
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccccc1OCc1cncs1
InChIInChI=1S/C15H20N2OS/c1-15(2,3)17-8-12-6-4-5-7-14(12)18-10-13-9-16-11-19-13/h4-7,9,11,17H,8,10H2,1-3H3
InChIKeyZCFVAPXACDWDEL-UHFFFAOYSA-N
XLogP3.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-fluoro-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696647
N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640303
N-[[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978924
N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978954
2-[2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanol
CID 107713207
5-[(2-chlorophenoxy)methyl]-1,3-thiazole
CID 112644769
5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 112644779
2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17054224
N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63063923
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640362
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63486343

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine (CID 112640397) is 2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine is CC(C)(C)NCc1ccccc1OCc1cncs1.
What is the InChIKey of 2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is ZCFVAPXACDWDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-15(2,3)17-8-12-6-4-5-7-14(12)18-10-13-9-16-11-19-13/h4-7,9,11,17H,8,10H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine?
2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 276.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 112640397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).