2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine

C13H19N — CID 124705366

IUPAC2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine
SMILESCCNCC[C@@H]1CCc2ccccc21
InChIInChI=1S/C13H19N/c1-2-14-10-9-12-8-7-11-5-3-4-6-13(11)12/h3-6,12,14H,2,7-10H2,1H3/t12-/m0/s1
InChIKeyPGYBCRKBLYYOST-LBPRGKRZSA-N
MW189.30 g/mol
LogP2.72
Rot. Bonds4

About 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine

2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine (PubChem CID 124705366) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine
PubChem CID124705366
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine
SMILESCCNCC[C@@H]1CCc2ccccc21
InChIInChI=1S/C13H19N/c1-2-14-10-9-12-8-7-11-5-3-4-6-13(11)12/h3-6,12,14H,2,7-10H2,1H3/t12-/m0/s1
InChIKeyPGYBCRKBLYYOST-LBPRGKRZSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2,3-dihydro-1H-indene
CID 20971
(1R)-1-hexadecyl-2,3-dihydro-1H-indene
CID 98094176
4-[[2-(2,3-dihydro-1H-inden-1-yl)ethylamino]methyl]benzoic acid
CID 122034931
N-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine
CID 79590299
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
4-N-cyclopropyl-1-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 166235755
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
(1S)-1-benzyl-2,3-dihydro-1H-indene
CID 134957742
2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate
CID 21310563
4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidine;hydrochloride
CID 70543749
5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 58420594

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine?
The IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine (CID 124705366) is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine?
The canonical SMILES for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine is CCNCC[C@@H]1CCc2ccccc21.
What is the InChIKey of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine?
The InChIKey is PGYBCRKBLYYOST-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N/c1-2-14-10-9-12-8-7-11-5-3-4-6-13(11)12/h3-6,12,14H,2,7-10H2,1H3/t12-/m0/s1.
What are the key properties of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine?
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine has a molecular weight of 189.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine is sourced from PubChem (CID 124705366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).