(2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine

C16H22N2O — CID 10563187

IUPAC(2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine
SMILESCOc1ccc2c(c1)c1c(n2C)CCCCC1CN
InChIInChI=1S/C16H22N2O/c1-18-14-8-7-12(19-2)9-13(14)16-11(10-17)5-3-4-6-15(16)18/h7-9,11H,3-6,10,17H2,1-2H3
InChIKeyGKMWGKLLDCYNDM-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.96
Rot. Bonds2

About (2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine

(2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine (PubChem CID 10563187) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine.

Molecular Properties

Compound Name(2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine
PubChem CID10563187
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine
SMILESCOc1ccc2c(c1)c1c(n2C)CCCCC1CN
InChIInChI=1S/C16H22N2O/c1-18-14-8-7-12(19-2)9-13(14)16-11(10-17)5-3-4-6-15(16)18/h7-9,11H,3-6,10,17H2,1-2H3
InChIKeyGKMWGKLLDCYNDM-UHFFFAOYSA-N
XLogP2.96
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate
CID 101347837
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CID 10685494
1-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-1-yl)-N-methylmethanamine
CID 84637264
6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine
CID 84740019
6-methoxy-4-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole
CID 69419460
(8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
CID 84742511
6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine
CID 84631436
(3-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)methanamine
CID 105488426
N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
CID 10827392
(7-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanamine
CID 84626254
8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one
CID 66485037
(6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine
CID 18466222

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine?
The IUPAC name of (2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine (CID 10563187) is (2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine.
What is the SMILES notation for (2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine?
The canonical SMILES for (2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine is COc1ccc2c(c1)c1c(n2C)CCCCC1CN.
What is the InChIKey of (2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine?
The InChIKey is GKMWGKLLDCYNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18-14-8-7-12(19-2)9-13(14)16-11(10-17)5-3-4-6-15(16)18/h7-9,11H,3-6,10,17H2,1-2H3.
What are the key properties of (2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine?
(2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine has a molecular weight of 258.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine is sourced from PubChem (CID 10563187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).