1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine

C16H22N2OS — CID 62196983

IUPAC1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCC(C)CCOc1ccc(CNCc2cscn2)cc1
InChIInChI=1S/C16H22N2OS/c1-13(2)7-8-19-16-5-3-14(4-6-16)9-17-10-15-11-20-12-18-15/h3-6,11-13,17H,7-10H2,1-2H3
InChIKeyBYZXJTHWVMVYRH-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.86
Rot. Bonds8

About 1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine

1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 62196983) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID62196983
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCC(C)CCOc1ccc(CNCc2cscn2)cc1
InChIInChI=1S/C16H22N2OS/c1-13(2)7-8-19-16-5-3-14(4-6-16)9-17-10-15-11-20-12-18-15/h3-6,11-13,17H,7-10H2,1-2H3
InChIKeyBYZXJTHWVMVYRH-UHFFFAOYSA-N
XLogP3.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride
CID 47013530
N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60721281
1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 28671880
1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 115523996
4-[(1,3-thiazol-4-ylmethylamino)methyl]benzonitrile
CID 61170634
5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine
CID 79002634
N'-[[4-(3-methylbutoxy)phenyl]methyl]propane-1,3-diamine
CID 60888382
N-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 60697172
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
N-[[4-(3-methylbutoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine
CID 115764090
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63070347
2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 106289896

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 62196983) is 1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine is CC(C)CCOc1ccc(CNCc2cscn2)cc1.
What is the InChIKey of 1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is BYZXJTHWVMVYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-13(2)7-8-19-16-5-3-14(4-6-16)9-17-10-15-11-20-12-18-15/h3-6,11-13,17H,7-10H2,1-2H3.
What are the key properties of 1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 290.43 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 62196983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).