1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine

C17H23NS — CID 61472993

IUPAC1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2ccc(C(C)C)cc2)s1
InChIInChI=1S/C17H23NS/c1-12(2)16-8-6-15(7-9-16)11-18-14(4)17-10-5-13(3)19-17/h5-10,12,14,18H,11H2,1-4H3
InChIKeyHVBJWLZIYAEGRJ-UHFFFAOYSA-N
MW273.45 g/mol
LogP5.03
Rot. Bonds5

About 1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine

1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine (PubChem CID 61472993) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
PubChem CID61472993
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC Name1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2ccc(C(C)C)cc2)s1
InChIInChI=1S/C17H23NS/c1-12(2)16-8-6-15(7-9-16)11-18-14(4)17-10-5-13(3)19-17/h5-10,12,14,18H,11H2,1-4H3
InChIKeyHVBJWLZIYAEGRJ-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 106816707
1-(5-methylthiophen-2-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 60875775
N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54952885
N-[(3-chloro-4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62539090
1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 61473381
1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 61472968
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol
CID 61473264
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 61473085
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61060387
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 61473429
N-[(2,6-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54952884

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine (CID 61472993) is 1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine is Cc1ccc(C(C)NCc2ccc(C(C)C)cc2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The InChIKey is HVBJWLZIYAEGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-12(2)16-8-6-15(7-9-16)11-18-14(4)17-10-5-13(3)19-17/h5-10,12,14,18H,11H2,1-4H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine has a molecular weight of 273.45 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 61472993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).