1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine

C15H19NS — CID 60976741

IUPAC1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCC(C)c1ccc(CNCc2ccsc2)cc1
InChIInChI=1S/C15H19NS/c1-12(2)15-5-3-13(4-6-15)9-16-10-14-7-8-17-11-14/h3-8,11-12,16H,9-10H2,1-2H3
InChIKeySXVNQNFQMDIKDX-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.16
Rot. Bonds5

About 1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine

1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 60976741) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine
PubChem CID60976741
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCC(C)c1ccc(CNCc2ccsc2)cc1
InChIInChI=1S/C15H19NS/c1-12(2)15-5-3-13(4-6-15)9-16-10-14-7-8-17-11-14/h3-8,11-12,16H,9-10H2,1-2H3
InChIKeySXVNQNFQMDIKDX-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine
CID 66353002
1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 55027547
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
CID 115226785
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115757742
1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
CID 4723865
2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80695833
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of 1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine (CID 60976741) is 1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine is CC(C)c1ccc(CNCc2ccsc2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is SXVNQNFQMDIKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-12(2)15-5-3-13(4-6-15)9-16-10-14-7-8-17-11-14/h3-8,11-12,16H,9-10H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine?
1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 245.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 60976741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).