(6-benzyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)methanamine

C19H21N3 — CID 83983946

IUPAC(6-benzyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)methanamine
SMILESCn1cc(CN)c2cc3c(cc21)CN(Cc1ccccc1)C3
InChIInChI=1S/C19H21N3/c1-21-11-17(9-20)18-7-15-12-22(13-16(15)8-19(18)21)10-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13,20H2,1H3
InChIKeyAOLXUYMPIDATQJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.15
Rot. Bonds3

About (6-benzyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)methanamine

(6-benzyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)methanamine (PubChem CID 83983946) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is (6-benzyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)methanamine.

Molecular Properties

Compound Name(6-benzyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)methanamine
PubChem CID83983946
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name(6-benzyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)methanamine
SMILESCn1cc(CN)c2cc3c(cc21)CN(Cc1ccccc1)C3
InChIInChI=1S/C19H21N3/c1-21-11-17(9-20)18-7-15-12-22(13-16(15)8-19(18)21)10-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13,20H2,1H3
InChIKeyAOLXUYMPIDATQJ-UHFFFAOYSA-N
XLogP3.15
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-benzyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid
CID 83984399
(5-ethyl-1-methylindol-3-yl)methanamine
CID 82490826
4-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine
CID 83983893
4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine
CID 83984062
2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine
CID 154963782
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
(1-methyl-5-propan-2-ylindol-3-yl)methanamine
CID 82491626
2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride
CID 162343848
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
[1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine
CID 105485238
methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate
CID 83983875
4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-one
CID 112540873

Frequently Asked Questions

What is the IUPAC name of (6-benzyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)methanamine?
The IUPAC name of (6-benzyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)methanamine (CID 83983946) is (6-benzyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)methanamine.
What is the SMILES notation for (6-benzyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)methanamine?
The canonical SMILES for (6-benzyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)methanamine is Cn1cc(CN)c2cc3c(cc21)CN(Cc1ccccc1)C3.
What is the InChIKey of (6-benzyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)methanamine?
The InChIKey is AOLXUYMPIDATQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-21-11-17(9-20)18-7-15-12-22(13-16(15)8-19(18)21)10-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13,20H2,1H3.
What are the key properties of (6-benzyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)methanamine?
(6-benzyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)methanamine has a molecular weight of 291.40 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 (6-benzyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)methanamine is sourced from PubChem (CID 83983946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).