2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine

C12H16ClNS — CID 83912697

IUPAC2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine
SMILESCC(CN)C1CCSc2c(Cl)cccc21
InChIInChI=1S/C12H16ClNS/c1-8(7-14)9-5-6-15-12-10(9)3-2-4-11(12)13/h2-4,8-9H,5-7,14H2,1H3
InChIKeyGXVDGWYWTBCYHV-UHFFFAOYSA-N
MW241.79 g/mol
LogP3.51
Rot. Bonds2

About 2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine

2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine (PubChem CID 83912697) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is 2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine
PubChem CID83912697
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC Name2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine
SMILESCC(CN)C1CCSc2c(Cl)cccc21
InChIInChI=1S/C12H16ClNS/c1-8(7-14)9-5-6-15-12-10(9)3-2-4-11(12)13/h2-4,8-9H,5-7,14H2,1H3
InChIKeyGXVDGWYWTBCYHV-UHFFFAOYSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115704783
1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 83909904
8-chloro-3,4-dihydro-2H-thiochromene-4-carboxylic acid
CID 82391144
2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propan-1-amine
CID 83907555
1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol
CID 84663504
4-chloro-11-propan-2-yl-6,11-dihydrobenzo[c][1]benzothiepine
CID 70369546
2-(6-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
CID 83911363
7-chloro-2,3-dihydro-1-benzothiophen-3-ol
CID 13162405
2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
CID 83911362
9-chloro-N-cyclopropyl-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 43538862
9-chloro-2,3,4,5-tetrahydro-1-benzothiepine-5-carboxylic acid
CID 82386686
2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83868516

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine?
The IUPAC name of 2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine (CID 83912697) is 2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine.
What is the SMILES notation for 2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine?
The canonical SMILES for 2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine is CC(CN)C1CCSc2c(Cl)cccc21.
What is the InChIKey of 2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine?
The InChIKey is GXVDGWYWTBCYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNS/c1-8(7-14)9-5-6-15-12-10(9)3-2-4-11(12)13/h2-4,8-9H,5-7,14H2,1H3.
What are the key properties of 2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine?
2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine has a molecular weight of 241.79 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine is sourced from PubChem (CID 83912697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).