2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine

C14H18N2O — CID 115037881

IUPAC2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine
SMILESCOc1cccc2c1c(CCN)cn2C1CC1
InChIInChI=1S/C14H18N2O/c1-17-13-4-2-3-12-14(13)10(7-8-15)9-16(12)11-5-6-11/h2-4,9,11H,5-8,15H2,1H3
InChIKeyCKEJAYFLZFRYQZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.49
Rot. Bonds4

About 2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine

2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine (PubChem CID 115037881) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine
PubChem CID115037881
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine
SMILESCOc1cccc2c1c(CCN)cn2C1CC1
InChIInChI=1S/C14H18N2O/c1-17-13-4-2-3-12-14(13)10(7-8-15)9-16(12)11-5-6-11/h2-4,9,11H,5-8,15H2,1H3
InChIKeyCKEJAYFLZFRYQZ-UHFFFAOYSA-N
XLogP2.49
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-4-methoxy-3-methylindole
CID 91447523
3-bromo-1-cyclopropyl-4-methoxyindole
CID 115049434
2-(1-cyclopropylindol-3-yl)ethanamine
CID 105453045
3-(4-methoxy-1-methylindol-3-yl)propan-1-amine
CID 82278662
2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine
CID 156852005
(4-bromo-1-cyclopropylindol-3-yl)methanamine
CID 115049318
2-(4-methoxy-1-methylindol-3-yl)ethyl-trimethylazanium
CID 156698146
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-(2-bromo-3-methoxyphenyl)ethanamine
CID 83711367
2-(4-methoxy-1-methylindol-3-yl)ethyl-trimethylazanium;iodide;hydrate
CID 156698147
2-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60905797
2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide
CID 60904735

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine?
The IUPAC name of 2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine (CID 115037881) is 2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine?
The canonical SMILES for 2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine is COc1cccc2c1c(CCN)cn2C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine?
The InChIKey is CKEJAYFLZFRYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-17-13-4-2-3-12-14(13)10(7-8-15)9-16(12)11-5-6-11/h2-4,9,11H,5-8,15H2,1H3.
What are the key properties of 2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine?
2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine is sourced from PubChem (CID 115037881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).