[4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine

C16H21NOS — CID 98019625

IUPAC[4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine
SMILESCOc1ccc(C(C)C)cc1-c1c(CN)csc1C
InChIInChI=1S/C16H21NOS/c1-10(2)12-5-6-15(18-4)14(7-12)16-11(3)19-9-13(16)8-17/h5-7,9-10H,8,17H2,1-4H3
InChIKeyBPIRCLYJNCONBJ-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.31
Rot. Bonds4

About [4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine

[4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine (PubChem CID 98019625) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is [4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine
PubChem CID98019625
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name[4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine
SMILESCOc1ccc(C(C)C)cc1-c1c(CN)csc1C
InChIInChI=1S/C16H21NOS/c1-10(2)12-5-6-15(18-4)14(7-12)16-11(3)19-9-13(16)8-17/h5-7,9-10H,8,17H2,1-4H3
InChIKeyBPIRCLYJNCONBJ-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine
CID 82487477
[4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine
CID 98021222
[4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine
CID 82487476
4-(2-methoxy-5-propan-2-ylphenyl)thiophen-2-amine
CID 82130986
2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 96665567
5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 95474423
[5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82484705
ethyl 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-carboxylate
CID 10040465
2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine
CID 23198486
2-ethyl-4-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)benzene
CID 123847181
2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475742
1-methoxy-4-methyl-6-propan-2-ylnaphthalene
CID 101078716

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine?
The IUPAC name of [4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine (CID 98019625) is [4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine.
What is the SMILES notation for [4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine?
The canonical SMILES for [4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine is COc1ccc(C(C)C)cc1-c1c(CN)csc1C.
What is the InChIKey of [4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine?
The InChIKey is BPIRCLYJNCONBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-10(2)12-5-6-15(18-4)14(7-12)16-11(3)19-9-13(16)8-17/h5-7,9-10H,8,17H2,1-4H3.
What are the key properties of [4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine?
[4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine has a molecular weight of 275.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine is sourced from PubChem (CID 98019625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).