1-[1-(methoxymethyl)indol-4-yl]butan-2-amine

C14H20N2O — CID 65364705

IUPAC1-[1-(methoxymethyl)indol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cccc2c1ccn2COC
InChIInChI=1S/C14H20N2O/c1-3-12(15)9-11-5-4-6-14-13(11)7-8-16(14)10-17-2/h4-8,12H,3,9-10,15H2,1-2H3
InChIKeyNODRRFQUVRTPFO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.53
Rot. Bonds5

About 1-[1-(methoxymethyl)indol-4-yl]butan-2-amine

1-[1-(methoxymethyl)indol-4-yl]butan-2-amine (PubChem CID 65364705) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)indol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(methoxymethyl)indol-4-yl]butan-2-amine
PubChem CID65364705
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[1-(methoxymethyl)indol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cccc2c1ccn2COC
InChIInChI=1S/C14H20N2O/c1-3-12(15)9-11-5-4-6-14-13(11)7-8-16(14)10-17-2/h4-8,12H,3,9-10,15H2,1-2H3
InChIKeyNODRRFQUVRTPFO-UHFFFAOYSA-N
XLogP2.53
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[[4-(2-aminobutyl)indol-1-yl]methyl]cyclopropyl]acetonitrile
CID 65497879
2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine
CID 65364901
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
N-methyl-1-(1-propylindol-4-yl)propan-2-amine
CID 115106942
1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine
CID 60907393
1-[3-ethoxy-2-(4-methoxybutoxy)phenyl]butan-2-amine
CID 104648823
tert-butyl 4-[(2S)-2-amino-3-methoxypropyl]indole-1-carboxylate
CID 170598333
1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine
CID 102917351
1-(3-bromo-2-propoxyphenyl)butan-2-amine
CID 61392389
1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine
CID 112615535
1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine
CID 82870619
1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine
CID 66405858

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)indol-4-yl]butan-2-amine?
The IUPAC name of 1-[1-(methoxymethyl)indol-4-yl]butan-2-amine (CID 65364705) is 1-[1-(methoxymethyl)indol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(methoxymethyl)indol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1-(methoxymethyl)indol-4-yl]butan-2-amine is CCC(N)Cc1cccc2c1ccn2COC.
What is the InChIKey of 1-[1-(methoxymethyl)indol-4-yl]butan-2-amine?
The InChIKey is NODRRFQUVRTPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-12(15)9-11-5-4-6-14-13(11)7-8-16(14)10-17-2/h4-8,12H,3,9-10,15H2,1-2H3.
What are the key properties of 1-[1-(methoxymethyl)indol-4-yl]butan-2-amine?
1-[1-(methoxymethyl)indol-4-yl]butan-2-amine has a molecular weight of 232.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)indol-4-yl]butan-2-amine is sourced from PubChem (CID 65364705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).