N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine

C14H17NS — CID 66353002

IUPACN-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine
SMILESCC(C)c1ccc(CNc2ccsc2)cc1
InChIInChI=1S/C14H17NS/c1-11(2)13-5-3-12(4-6-13)9-15-14-7-8-16-10-14/h3-8,10-11,15H,9H2,1-2H3
InChIKeyIKOFSAAVVXREAU-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.48
Rot. Bonds4

About N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine

N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine (PubChem CID 66353002) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine
PubChem CID66353002
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine
SMILESCC(C)c1ccc(CNc2ccsc2)cc1
InChIInChI=1S/C14H17NS/c1-11(2)13-5-3-12(4-6-13)9-15-14-7-8-16-10-14/h3-8,10-11,15H,9H2,1-2H3
InChIKeyIKOFSAAVVXREAU-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.48
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
N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine
CID 66349713
N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine
CID 106816916
4-bromo-3,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 107571843
2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol
CID 66352322
N-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine
CID 66350789
N-[(3-chlorophenyl)methyl]thiophen-3-amine
CID 66351019
N-[(6-methoxy-3-pyridinyl)methyl]thiophen-3-amine
CID 114936804
3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 43435749
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
N-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide
CID 46045366
6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine
CID 43675225

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine (CID 66353002) is N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine is CC(C)c1ccc(CNc2ccsc2)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine?
The InChIKey is IKOFSAAVVXREAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-11(2)13-5-3-12(4-6-13)9-15-14-7-8-16-10-14/h3-8,10-11,15H,9H2,1-2H3.
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine?
N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine has a molecular weight of 231.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine is sourced from PubChem (CID 66353002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).