(1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine

C17H16N2 — CID 69032046

IUPAC(1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1C[C@@H](c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C17H16N2/c18-16-9-14(11-5-1-2-6-12(11)16)15-10-19-17-8-4-3-7-13(15)17/h1-8,10,14,16,19H,9,18H2/t14-,16+/m1/s1
InChIKeyMIKXWIYSNXGTQC-ZBFHGGJFSA-N
MW248.33 g/mol
LogP3.70
Rot. Bonds1

About (1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine

(1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 69032046) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID69032046
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name(1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1C[C@@H](c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C17H16N2/c18-16-9-14(11-5-1-2-6-12(11)16)15-10-19-17-8-4-3-7-13(15)17/h1-8,10,14,16,19H,9,18H2/t14-,16+/m1/s1
InChIKeyMIKXWIYSNXGTQC-ZBFHGGJFSA-N
XLogP3.70
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 24887103
3-(1H-indol-3-yl)cyclopentan-1-amine
CID 22386576
(2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene
CID 155807475
3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol
CID 68911432
(6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole
CID 155805566
3-(3-bromocyclopentyl)-1H-indole
CID 130527678
4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine
CID 112742433
(1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 905885
8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene
CID 139526372
3-(1H-indol-3-yl)oxiran-2-ol
CID 123804780
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
methane;3-piperidin-4-yl-1H-indole
CID 70444570

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine (CID 69032046) is (1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine is N[C@H]1C[C@@H](c2c[nH]c3ccccc23)c2ccccc21.
What is the InChIKey of (1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MIKXWIYSNXGTQC-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H16N2/c18-16-9-14(11-5-1-2-6-12(11)16)15-10-19-17-8-4-3-7-13(15)17/h1-8,10,14,16,19H,9,18H2/t14-,16+/m1/s1.
What are the key properties of (1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine?
(1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 248.33 g/mol, XLogP of 3.70, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 69032046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).