1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine

C16H21NS — CID 55027547

IUPAC1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCC(C)(C)c1ccc(CNCc2ccsc2)cc1
InChIInChI=1S/C16H21NS/c1-16(2,3)15-6-4-13(5-7-15)10-17-11-14-8-9-18-12-14/h4-9,12,17H,10-11H2,1-3H3
InChIKeyQMDNDLIZTSWAEZ-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.34
Rot. Bonds4

About 1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine

1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 55027547) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine
PubChem CID55027547
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCC(C)(C)c1ccc(CNCc2ccsc2)cc1
InChIInChI=1S/C16H21NS/c1-16(2,3)15-6-4-13(5-7-15)10-17-11-14-8-9-18-12-14/h4-9,12,17H,10-11H2,1-3H3
InChIKeyQMDNDLIZTSWAEZ-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 60976741
tert-butyl N-[4-[(thiophen-3-ylmethylamino)methyl]phenyl]carbamate
CID 107239520
4,4-dimethyl-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 115642825
4-[[(4-tert-butylphenyl)methylamino]methyl]benzonitrile
CID 60776869
4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline
CID 101478316
2-tert-butylsulfonyl-N-(thiophen-3-ylmethyl)ethanamine
CID 115625750
2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 78963459
1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 66399003
N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60744110
1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 63001646
N-[2-(4-tert-butylphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine
CID 63515463
1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 60711272

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine (CID 55027547) is 1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine is CC(C)(C)c1ccc(CNCc2ccsc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is QMDNDLIZTSWAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-16(2,3)15-6-4-13(5-7-15)10-17-11-14-8-9-18-12-14/h4-9,12,17H,10-11H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine?
1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 259.42 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 55027547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).