(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine

C10H12ClNS — CID 83909910

IUPAC(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine
SMILESCC1Sc2c(Cl)cccc2C1CN
InChIInChI=1S/C10H12ClNS/c1-6-8(5-12)7-3-2-4-9(11)10(7)13-6/h2-4,6,8H,5,12H2,1H3
InChIKeyIZMYUYWPFAPMBK-UHFFFAOYSA-N
MW213.73 g/mol
LogP2.88
Rot. Bonds1

About (7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine

(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine (PubChem CID 83909910) has the molecular formula C10H12ClNS and a molecular weight of 213.73 g/mol. Its IUPAC name is (7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine
PubChem CID83909910
Molecular FormulaC10H12ClNS
Molecular Weight213.73 g/mol
Exact Mass213.04
IUPAC Name(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine
SMILESCC1Sc2c(Cl)cccc2C1CN
InChIInChI=1S/C10H12ClNS/c1-6-8(5-12)7-3-2-4-9(11)10(7)13-6/h2-4,6,8H,5,12H2,1H3
InChIKeyIZMYUYWPFAPMBK-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 83908067
2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 83912755
7-chloro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 83048836
1-(2,7-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
CID 83909129
2-(4-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 83909485
8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538869
2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine
CID 83912697
8-chloro-N-ethyl-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82888098
(1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole
CID 131080602
1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 83909904
(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
CID 117198789
8-chloro-3-methyl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82886388

Frequently Asked Questions

What is the IUPAC name of (7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine?
The IUPAC name of (7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine (CID 83909910) is (7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine.
What is the SMILES notation for (7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine?
The canonical SMILES for (7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine is CC1Sc2c(Cl)cccc2C1CN.
What is the InChIKey of (7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine?
The InChIKey is IZMYUYWPFAPMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNS/c1-6-8(5-12)7-3-2-4-9(11)10(7)13-6/h2-4,6,8H,5,12H2,1H3.
What are the key properties of (7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine?
(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine has a molecular weight of 213.73 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine is sourced from PubChem (CID 83909910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).