1-(6-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine

C12H16ClN — CID 112716442

IUPAC1-(6-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine
SMILESCC(N)C1c2cc(Cl)ccc2CC1C
InChIInChI=1S/C12H16ClN/c1-7-5-9-3-4-10(13)6-11(9)12(7)8(2)14/h3-4,6-8,12H,5,14H2,1-2H3
InChIKeyPFTUSCIMGQFAFP-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.96
Rot. Bonds1

About 1-(6-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine

1-(6-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine (PubChem CID 112716442) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 1-(6-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine.

Molecular Properties

Compound Name1-(6-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine
PubChem CID112716442
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name1-(6-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine
SMILESCC(N)C1c2cc(Cl)ccc2CC1C
InChIInChI=1S/C12H16ClN/c1-7-5-9-3-4-10(13)6-11(9)12(7)8(2)14/h3-4,6-8,12H,5,14H2,1-2H3
InChIKeyPFTUSCIMGQFAFP-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-chloro-3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 134210904
2-(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)propan-1-amine
CID 112716066
1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine
CID 54124385
7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 83970609
1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol
CID 45043194
(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83868804
1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 117201005
1-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 117200931
1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 83909719
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117202274
(1R)-1-[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]ethanamine
CID 28912124
6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene
CID 79725428

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine?
The IUPAC name of 1-(6-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine (CID 112716442) is 1-(6-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine.
What is the SMILES notation for 1-(6-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine?
The canonical SMILES for 1-(6-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine is CC(N)C1c2cc(Cl)ccc2CC1C.
What is the InChIKey of 1-(6-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine?
The InChIKey is PFTUSCIMGQFAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-7-5-9-3-4-10(13)6-11(9)12(7)8(2)14/h3-4,6-8,12H,5,14H2,1-2H3.
What are the key properties of 1-(6-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine?
1-(6-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine has a molecular weight of 209.72 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine is sourced from PubChem (CID 112716442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).