N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine

C15H20N2O — CID 66401135

IUPACN-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine
SMILESCCOCn1cc(CNC2CC2)c2ccccc21
InChIInChI=1S/C15H20N2O/c1-2-18-11-17-10-12(9-16-13-7-8-13)14-5-3-4-6-15(14)17/h3-6,10,13,16H,2,7-9,11H2,1H3
InChIKeyDEOFFJRPNAVUMQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.89
Rot. Bonds6

About N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine

N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine (PubChem CID 66401135) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine
PubChem CID66401135
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine
SMILESCCOCn1cc(CNC2CC2)c2ccccc21
InChIInChI=1S/C15H20N2O/c1-2-18-11-17-10-12(9-16-13-7-8-13)14-5-3-4-6-15(14)17/h3-6,10,13,16H,2,7-9,11H2,1H3
InChIKeyDEOFFJRPNAVUMQ-UHFFFAOYSA-N
XLogP2.89
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 58005918
N-[(1-ethylindol-3-yl)methyl]cyclooctanamine
CID 29228709
2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide
CID 66403280
N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine
CID 66402698
N-[[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412412
4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
CID 107235605
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine
CID 66401134
N-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine
CID 106930200
N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine
CID 117182263
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
CID 124895925
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
CID 124895563
4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 79730790

Frequently Asked Questions

What is the IUPAC name of N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine (CID 66401135) is N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine is CCOCn1cc(CNC2CC2)c2ccccc21.
What is the InChIKey of N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine?
The InChIKey is DEOFFJRPNAVUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-18-11-17-10-12(9-16-13-7-8-13)14-5-3-4-6-15(14)17/h3-6,10,13,16H,2,7-9,11H2,1H3.
What are the key properties of N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine?
N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine has a molecular weight of 244.34 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66401135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).