(2S)-1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine

C17H22N2O — CID 3045240

IUPAC(2S)-1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine
SMILESCOc1ccc2c(c1)-c1c(ccn1C[C@H](C)N)C2(C)C
InChIInChI=1S/C17H22N2O/c1-11(18)10-19-8-7-15-16(19)13-9-12(20-4)5-6-14(13)17(15,2)3/h5-9,11H,10,18H2,1-4H3/t11-/m0/s1
InChIKeyBVTYPXOYRUAGFD-NSHDSACASA-N
MW270.38 g/mol
LogP3.15
Rot. Bonds3

About (2S)-1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine

(2S)-1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine (PubChem CID 3045240) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (2S)-1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine
PubChem CID3045240
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(2S)-1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine
SMILESCOc1ccc2c(c1)-c1c(ccn1C[C@H](C)N)C2(C)C
InChIInChI=1S/C17H22N2O/c1-11(18)10-19-8-7-15-16(19)13-9-12(20-4)5-6-14(13)17(15,2)3/h5-9,11H,10,18H2,1-4H3/t11-/m0/s1
InChIKeyBVTYPXOYRUAGFD-NSHDSACASA-N
XLogP3.15
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine (CID 3045240) is (2S)-1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine is COc1ccc2c(c1)-c1c(ccn1C[C@H](C)N)C2(C)C.
What is the InChIKey of (2S)-1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine?
The InChIKey is BVTYPXOYRUAGFD-NSHDSACASA-N. The full InChI is InChI=1S/C17H22N2O/c1-11(18)10-19-8-7-15-16(19)13-9-12(20-4)5-6-14(13)17(15,2)3/h5-9,11H,10,18H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine?
(2S)-1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine is sourced from PubChem (CID 3045240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).