[3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine

C15H22N2O — CID 117178798

IUPAC[3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine
SMILESCCOCc1cn(C(C)C)c2cc(CN)ccc12
InChIInChI=1S/C15H22N2O/c1-4-18-10-13-9-17(11(2)3)15-7-12(8-16)5-6-14(13)15/h5-7,9,11H,4,8,10,16H2,1-3H3
InChIKeyCTBORWATGXNRNY-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.22
Rot. Bonds5

About [3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine

[3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine (PubChem CID 117178798) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine.

Molecular Properties

Compound Name[3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine
PubChem CID117178798
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine
SMILESCCOCc1cn(C(C)C)c2cc(CN)ccc12
InChIInChI=1S/C15H22N2O/c1-4-18-10-13-9-17(11(2)3)15-7-12(8-16)5-6-14(13)15/h5-7,9,11H,4,8,10,16H2,1-3H3
InChIKeyCTBORWATGXNRNY-UHFFFAOYSA-N
XLogP3.22
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine
CID 117178738
N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine
CID 117178730
(6-chloro-1-propan-2-ylindol-3-yl)methanamine
CID 117122224
O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117196322
[3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine
CID 117175369
N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine
CID 117175409
N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine
CID 117175412
[2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65038230
[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine
CID 117175354
4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol
CID 117178289
7-bromo-3-(ethoxymethyl)-1-propan-2-ylindole
CID 117182588
[3-(ethoxymethyl)-1-methylindol-7-yl]methanamine
CID 117181731

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine?
The IUPAC name of [3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine (CID 117178798) is [3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine.
What is the SMILES notation for [3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine?
The canonical SMILES for [3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine is CCOCc1cn(C(C)C)c2cc(CN)ccc12.
What is the InChIKey of [3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine?
The InChIKey is CTBORWATGXNRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-18-10-13-9-17(11(2)3)15-7-12(8-16)5-6-14(13)15/h5-7,9,11H,4,8,10,16H2,1-3H3.
What are the key properties of [3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine?
[3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine has a molecular weight of 246.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine is sourced from PubChem (CID 117178798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).