(5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine

C13H16N2O — CID 105469922

IUPAC(5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine
SMILESCOc1cccc2c1cc1n2CCC1CN
InChIInChI=1S/C13H16N2O/c1-16-13-4-2-3-11-10(13)7-12-9(8-14)5-6-15(11)12/h2-4,7,9H,5-6,8,14H2,1H3
InChIKeyMKJAVTHIUGSWMA-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.10
Rot. Bonds2

About (5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine

(5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine (PubChem CID 105469922) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine.

Molecular Properties

Compound Name(5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine
PubChem CID105469922
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine
SMILESCOc1cccc2c1cc1n2CCC1CN
InChIInChI=1S/C13H16N2O/c1-16-13-4-2-3-11-10(13)7-12-9(8-14)5-6-15(11)12/h2-4,7,9H,5-6,8,14H2,1H3
InChIKeyMKJAVTHIUGSWMA-UHFFFAOYSA-N
XLogP2.10
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine
CID 105469893
(1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)methanamine
CID 105488420
(7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine
CID 105456235
2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one
CID 19927801
5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one
CID 19927834
(3-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)methanamine
CID 105488426
(4-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine
CID 105488431
2-(4-methoxy-1-propan-2-ylindol-2-yl)ethanamine
CID 83918678
4-methoxy-1-methylindol-2-ol
CID 57183322
[(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 94557662
[(1R,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 94557663
[1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine
CID 106540997

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine?
The IUPAC name of (5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine (CID 105469922) is (5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine.
What is the SMILES notation for (5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine?
The canonical SMILES for (5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine is COc1cccc2c1cc1n2CCC1CN.
What is the InChIKey of (5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine?
The InChIKey is MKJAVTHIUGSWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-16-13-4-2-3-11-10(13)7-12-9(8-14)5-6-15(11)12/h2-4,7,9H,5-6,8,14H2,1H3.
What are the key properties of (5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine?
(5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine has a molecular weight of 216.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine is sourced from PubChem (CID 105469922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).