2-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2-methylpropan-1-amine

C13H18ClN — CID 105481561

IUPAC2-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)C1Cc2cccc(Cl)c2C1
InChIInChI=1S/C13H18ClN/c1-13(2,8-15)10-6-9-4-3-5-12(14)11(9)7-10/h3-5,10H,6-8,15H2,1-2H3
InChIKeyJRUFUGRFWKLNMW-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.04
Rot. Bonds2

About 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2-methylpropan-1-amine

2-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2-methylpropan-1-amine (PubChem CID 105481561) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2-methylpropan-1-amine
PubChem CID105481561
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name2-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)C1Cc2cccc(Cl)c2C1
InChIInChI=1S/C13H18ClN/c1-13(2,8-15)10-6-9-4-3-5-12(14)11(9)7-10/h3-5,10H,6-8,15H2,1-2H3
InChIKeyJRUFUGRFWKLNMW-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-ethyl-2,3-dihydro-1H-inden-2-amine
CID 23396987
2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde
CID 105448649
4-chloro-N-cyclopropyl-2,3-dihydro-1H-inden-2-amine
CID 83834003
5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 14969231
2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid
CID 105474227
2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine
CID 107309812
5-chloro-N-cyclopropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 83838580
3-(2,6-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739420
(2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one
CID 178126498
2-(4-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 83909485
(8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine
CID 82398520
[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]methanamine
CID 62091270

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2-methylpropan-1-amine (CID 105481561) is 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2-methylpropan-1-amine is CC(C)(CN)C1Cc2cccc(Cl)c2C1.
What is the InChIKey of 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2-methylpropan-1-amine?
The InChIKey is JRUFUGRFWKLNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-13(2,8-15)10-6-9-4-3-5-12(14)11(9)7-10/h3-5,10H,6-8,15H2,1-2H3.
What are the key properties of 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2-methylpropan-1-amine?
2-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2-methylpropan-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 105481561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).