2-(4-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine

C12H16ClN — CID 83909485

IUPAC2-(4-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine
SMILESCC1Cc2c(Cl)cccc2C1CCN
InChIInChI=1S/C12H16ClN/c1-8-7-11-10(9(8)5-6-14)3-2-4-12(11)13/h2-4,8-9H,5-7,14H2,1H3
InChIKeyAGHMZKVXBJYTLD-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.96
Rot. Bonds2

About 2-(4-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine

2-(4-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine (PubChem CID 83909485) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine
PubChem CID83909485
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name2-(4-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine
SMILESCC1Cc2c(Cl)cccc2C1CCN
InChIInChI=1S/C12H16ClN/c1-8-7-11-10(9(8)5-6-14)3-2-4-12(11)13/h2-4,8-9H,5-7,14H2,1H3
InChIKeyAGHMZKVXBJYTLD-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

4-chloro-2-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79726762
3-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine
CID 117198579
(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 83909910
(3S,4S)-8-chloro-3-methyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
CID 161082313
5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine;hydrochloride
CID 126821230
(1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole
CID 131080602
2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine
CID 82391727
2,4-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 79003847
(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
CID 117198789
2-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2-methylpropan-1-amine
CID 105481561
3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one
CID 63555300
(2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole
CID 129375705

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine?
The IUPAC name of 2-(4-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine (CID 83909485) is 2-(4-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine is CC1Cc2c(Cl)cccc2C1CCN.
What is the InChIKey of 2-(4-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine?
The InChIKey is AGHMZKVXBJYTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-8-7-11-10(9(8)5-6-14)3-2-4-12(11)13/h2-4,8-9H,5-7,14H2,1H3.
What are the key properties of 2-(4-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine?
2-(4-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine has a molecular weight of 209.72 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine is sourced from PubChem (CID 83909485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).