8-methoxy-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine

C13H19NOS — CID 61291877

IUPAC8-methoxy-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCOc1cccc2c1SCCC2NC(C)C
InChIInChI=1S/C13H19NOS/c1-9(2)14-11-7-8-16-13-10(11)5-4-6-12(13)15-3/h4-6,9,11,14H,7-8H2,1-3H3
InChIKeyZFALBUHORMZPCI-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.23
Rot. Bonds3

About 8-methoxy-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine

8-methoxy-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 61291877) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 8-methoxy-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-methoxy-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID61291877
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name8-methoxy-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCOc1cccc2c1SCCC2NC(C)C
InChIInChI=1S/C13H19NOS/c1-9(2)14-11-7-8-16-13-10(11)5-4-6-12(13)15-3/h4-6,9,11,14H,7-8H2,1-3H3
InChIKeyZFALBUHORMZPCI-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-N-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61292064
N-[1-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43740236
5,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539579
N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43768553
2-(7-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid
CID 83912383
8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115704783
N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103775877
5-bromo-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxybenzenesulfonamide
CID 25472037
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
8-bromo-N-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539404
(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol
CID 103788965
3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol
CID 113262036

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-methoxy-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine (CID 61291877) is 8-methoxy-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-methoxy-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-methoxy-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine is COc1cccc2c1SCCC2NC(C)C.
What is the InChIKey of 8-methoxy-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is ZFALBUHORMZPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9(2)14-11-7-8-16-13-10(11)5-4-6-12(13)15-3/h4-6,9,11,14H,7-8H2,1-3H3.
What are the key properties of 8-methoxy-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
8-methoxy-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 237.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 61291877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).