(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine

C13H16N2O — CID 18466234

IUPAC(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine
SMILESCOc1ccc2[nH]cc3c2c1CCC3CN
InChIInChI=1S/C13H16N2O/c1-16-12-5-4-11-13-9(12)3-2-8(6-14)10(13)7-15-11/h4-5,7-8,15H,2-3,6,14H2,1H3
InChIKeyWMIPUTPZWCNLPN-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.16
Rot. Bonds2

About (6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine

(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine (PubChem CID 18466234) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine.

Molecular Properties

Compound Name(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine
PubChem CID18466234
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine
SMILESCOc1ccc2[nH]cc3c2c1CCC3CN
InChIInChI=1S/C13H16N2O/c1-16-12-5-4-11-13-9(12)3-2-8(6-14)10(13)7-15-11/h4-5,7-8,15H,2-3,6,14H2,1H3
InChIKeyWMIPUTPZWCNLPN-UHFFFAOYSA-N
XLogP2.16
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine?
The IUPAC name of (6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine (CID 18466234) is (6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine.
What is the SMILES notation for (6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine?
The canonical SMILES for (6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine is COc1ccc2[nH]cc3c2c1CCC3CN.
What is the InChIKey of (6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine?
The InChIKey is WMIPUTPZWCNLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-16-12-5-4-11-13-9(12)3-2-8(6-14)10(13)7-15-11/h4-5,7-8,15H,2-3,6,14H2,1H3.
What are the key properties of (6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine?
(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine has a molecular weight of 216.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine is sourced from PubChem (CID 18466234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).