(2S)-1-(7-ethyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine

C16H20N2 — CID 54018465

IUPAC(2S)-1-(7-ethyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine
SMILESCCc1ccc2c(c1)-c1c(ccn1C[C@H](C)N)C2
InChIInChI=1S/C16H20N2/c1-3-12-4-5-13-9-14-6-7-18(10-11(2)17)16(14)15(13)8-12/h4-8,11H,3,9-10,17H2,1-2H3/t11-/m0/s1
InChIKeyKXGMUCAOWWXRIF-NSHDSACASA-N
MW240.35 g/mol
LogP2.97
Rot. Bonds3

About (2S)-1-(7-ethyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine

(2S)-1-(7-ethyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine (PubChem CID 54018465) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2S)-1-(7-ethyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(7-ethyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine
PubChem CID54018465
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(2S)-1-(7-ethyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine
SMILESCCc1ccc2c(c1)-c1c(ccn1C[C@H](C)N)C2
InChIInChI=1S/C16H20N2/c1-3-12-4-5-13-9-14-6-7-18(10-11(2)17)16(14)15(13)8-12/h4-8,11H,3,9-10,17H2,1-2H3/t11-/m0/s1
InChIKeyKXGMUCAOWWXRIF-NSHDSACASA-N
XLogP2.97
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4,7-Trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine
CID 18516642
1-(7-fluoro-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine
CID 19036356
1-(7-chloro-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine
CID 19036374
1-(7-methyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine
CID 19036377
1-(7-bromo-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine
CID 19036385
1-(7-Fluoro-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine
CID 19036480
4-(1H-pyrrol-2-yl)-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 44404466
(R)-N-(2,3-dimethylbenzyl)-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 44441338
(S)-N-(2,3-dimethylbenzyl)-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 44441339
2,3-dihydro-1H-inden-2-yl[1-methyl-2-(3-methylpyridin-2-yl)ethyl]amine
CID 50981740
6-Methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 71932396
Indeno(1,2-b)pyrrole-1(4H)-ethanamine, alpha,4,4,7-tetramethyl-, (S)-, (E)-2-butenedioate (1:1)
CID 6446436

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(7-ethyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(7-ethyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine (CID 54018465) is (2S)-1-(7-ethyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(7-ethyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(7-ethyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine is CCc1ccc2c(c1)-c1c(ccn1C[C@H](C)N)C2.
What is the InChIKey of (2S)-1-(7-ethyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine?
The InChIKey is KXGMUCAOWWXRIF-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N2/c1-3-12-4-5-13-9-14-6-7-18(10-11(2)17)16(14)15(13)8-12/h4-8,11H,3,9-10,17H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-1-(7-ethyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine?
(2S)-1-(7-ethyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine has a molecular weight of 240.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(7-ethyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine is sourced from PubChem (CID 54018465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).