N-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine

C17H21NOS — CID 43722981

IUPACN-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)C(NC1CCOc2ccccc21)c1cccs1
InChIInChI=1S/C17H21NOS/c1-12(2)17(16-8-5-11-20-16)18-14-9-10-19-15-7-4-3-6-13(14)15/h3-8,11-12,14,17-18H,9-10H2,1-2H3
InChIKeyZITLFBVOUUZXBV-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.56
Rot. Bonds4

About N-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine

N-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43722981) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43722981
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)C(NC1CCOc2ccccc21)c1cccs1
InChIInChI=1S/C17H21NOS/c1-12(2)17(16-8-5-11-20-16)18-14-9-10-19-15-7-4-3-6-13(14)15/h3-8,11-12,14,17-18H,9-10H2,1-2H3
InChIKeyZITLFBVOUUZXBV-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62091395
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
2-N-(3,4-dihydro-2H-chromen-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939350
N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine
CID 60943496
N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine
CID 91322782
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523855
N-(2-methyl-1-thiophen-2-ylpropyl)cyclooctanamine
CID 43225879
(2R)-2-(2,3,4,5-tetrahydro-1-benzoxepin-5-ylamino)propan-1-ol
CID 103778563
N-[1-(1H-pyrazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 54881846
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81367470
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 43193389

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine (CID 43722981) is N-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine is CC(C)C(NC1CCOc2ccccc21)c1cccs1.
What is the InChIKey of N-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZITLFBVOUUZXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-12(2)17(16-8-5-11-20-16)18-14-9-10-19-15-7-4-3-6-13(14)15/h3-8,11-12,14,17-18H,9-10H2,1-2H3.
What are the key properties of N-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine?
N-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 287.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43722981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).