2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine

C15H17NOS — CID 81142463

IUPAC2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine
SMILESCC1(C)CC(Nc2ccsc2)c2ccccc2O1
InChIInChI=1S/C15H17NOS/c1-15(2)9-13(16-11-7-8-18-10-11)12-5-3-4-6-14(12)17-15/h3-8,10,13,16H,9H2,1-2H3
InChIKeyLLZIVDCVUXNNKP-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.46
Rot. Bonds2

About 2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine

2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine (PubChem CID 81142463) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine
PubChem CID81142463
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine
SMILESCC1(C)CC(Nc2ccsc2)c2ccccc2O1
InChIInChI=1S/C15H17NOS/c1-15(2)9-13(16-11-7-8-18-10-11)12-5-3-4-6-14(12)17-15/h3-8,10,13,16H,9H2,1-2H3
InChIKeyLLZIVDCVUXNNKP-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydrochromen-4-amine
CID 81139369
N-(3-bromo-4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 104775890
N-(4-bromo-3-chlorophenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107619094
2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol
CID 107678554
N-(3-bromo-4-chlorophenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81139547
4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylphenol
CID 81140231
2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine
CID 81137288
N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 113262696
2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine
CID 106210305
3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine
CID 133363274
N-(1,4-dithian-2-ylmethyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115727364
N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81137115

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine (CID 81142463) is 2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine is CC1(C)CC(Nc2ccsc2)c2ccccc2O1.
What is the InChIKey of 2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine?
The InChIKey is LLZIVDCVUXNNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-15(2)9-13(16-11-7-8-18-10-11)12-5-3-4-6-14(12)17-15/h3-8,10,13,16H,9H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine?
2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine has a molecular weight of 259.37 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 81142463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).