(2Z)-3-benzyl-1-ethyl-2-ethylidene-5-methoxy-3-methylindole;methanamine

C22H30N2O — CID 143624546

IUPAC(2Z)-3-benzyl-1-ethyl-2-ethylidene-5-methoxy-3-methylindole;methanamine
SMILESC/C=C1\N(CC)c2ccc(OC)cc2C1(C)Cc1ccccc1.CN
InChIInChI=1S/C21H25NO.CH5N/c1-5-20-21(3,15-16-10-8-7-9-11-16)18-14-17(23-4)12-13-19(18)22(20)6-2;1-2/h5,7-14H,6,15H2,1-4H3;2H2,1H3/b20-5-;
InChIKeyLNCZJSTYYMMAHI-ROTQIPFPSA-N
MW338.50 g/mol
LogP4.51
Rot. Bonds4

About (2Z)-3-benzyl-1-ethyl-2-ethylidene-5-methoxy-3-methylindole;methanamine

(2Z)-3-benzyl-1-ethyl-2-ethylidene-5-methoxy-3-methylindole;methanamine (PubChem CID 143624546) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is (2Z)-3-benzyl-1-ethyl-2-ethylidene-5-methoxy-3-methylindole;methanamine.

Molecular Properties

Compound Name(2Z)-3-benzyl-1-ethyl-2-ethylidene-5-methoxy-3-methylindole;methanamine
PubChem CID143624546
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name(2Z)-3-benzyl-1-ethyl-2-ethylidene-5-methoxy-3-methylindole;methanamine
SMILESC/C=C1\N(CC)c2ccc(OC)cc2C1(C)Cc1ccccc1.CN
InChIInChI=1S/C21H25NO.CH5N/c1-5-20-21(3,15-16-10-8-7-9-11-16)18-14-17(23-4)12-13-19(18)22(20)6-2;1-2/h5,7-14H,6,15H2,1-4H3;2H2,1H3/b20-5-;
InChIKeyLNCZJSTYYMMAHI-ROTQIPFPSA-N
XLogP4.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-benzyl-1-ethyl-2-ethylidene-5-methoxy-3-methylindole;methanamine?
The IUPAC name of (2Z)-3-benzyl-1-ethyl-2-ethylidene-5-methoxy-3-methylindole;methanamine (CID 143624546) is (2Z)-3-benzyl-1-ethyl-2-ethylidene-5-methoxy-3-methylindole;methanamine.
What is the SMILES notation for (2Z)-3-benzyl-1-ethyl-2-ethylidene-5-methoxy-3-methylindole;methanamine?
The canonical SMILES for (2Z)-3-benzyl-1-ethyl-2-ethylidene-5-methoxy-3-methylindole;methanamine is C/C=C1\N(CC)c2ccc(OC)cc2C1(C)Cc1ccccc1.CN.
What is the InChIKey of (2Z)-3-benzyl-1-ethyl-2-ethylidene-5-methoxy-3-methylindole;methanamine?
The InChIKey is LNCZJSTYYMMAHI-ROTQIPFPSA-N. The full InChI is InChI=1S/C21H25NO.CH5N/c1-5-20-21(3,15-16-10-8-7-9-11-16)18-14-17(23-4)12-13-19(18)22(20)6-2;1-2/h5,7-14H,6,15H2,1-4H3;2H2,1H3/b20-5-;.
What are the key properties of (2Z)-3-benzyl-1-ethyl-2-ethylidene-5-methoxy-3-methylindole;methanamine?
(2Z)-3-benzyl-1-ethyl-2-ethylidene-5-methoxy-3-methylindole;methanamine has a molecular weight of 338.50 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-benzyl-1-ethyl-2-ethylidene-5-methoxy-3-methylindole;methanamine is sourced from PubChem (CID 143624546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).