1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine

C12H17N3O — CID 170894776

IUPAC1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine
SMILESCOc1ccc2c(c1)c(C(N)CN)cn2C
InChIInChI=1S/C12H17N3O/c1-15-7-10(11(14)6-13)9-5-8(16-2)3-4-12(9)15/h3-5,7,11H,6,13-14H2,1-2H3
InChIKeyFOBLLGKGYUXGRX-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.15
Rot. Bonds3

About 1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine

1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine (PubChem CID 170894776) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine
PubChem CID170894776
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine
SMILESCOc1ccc2c(c1)c(C(N)CN)cn2C
InChIInChI=1S/C12H17N3O/c1-15-7-10(11(14)6-13)9-5-8(16-2)3-4-12(9)15/h3-5,7,11H,6,13-14H2,1-2H3
InChIKeyFOBLLGKGYUXGRX-UHFFFAOYSA-N
XLogP1.15
TPSA66.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol
CID 170875278
2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol
CID 82278870
2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile
CID 84757475
3-bromo-5-methoxy-1-methylindole
CID 67003649
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
1-(5-bromo-1-methylindol-3-yl)propan-1-amine
CID 82278922
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
(1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine
CID 130648897
2-(dipropylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile
CID 84756917
2-(1,2-diaminoethyl)-4-methoxyphenol
CID 55282717
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine (CID 170894776) is 1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine is COc1ccc2c(c1)c(C(N)CN)cn2C.
What is the InChIKey of 1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine?
The InChIKey is FOBLLGKGYUXGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15-7-10(11(14)6-13)9-5-8(16-2)3-4-12(9)15/h3-5,7,11H,6,13-14H2,1-2H3.
What are the key properties of 1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine?
1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine has a molecular weight of 219.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 170894776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).