N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine

C14H20N2O — CID 63001738

IUPACN-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1cccc2[nH]ccc12
InChIInChI=1S/C14H20N2O/c1-11(7-9-17-2)16-10-12-4-3-5-14-13(12)6-8-15-14/h3-6,8,11,15-16H,7,9-10H2,1-2H3
InChIKeyUACKJJDIICCGAL-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.68
Rot. Bonds6

About N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine

N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine (PubChem CID 63001738) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine
PubChem CID63001738
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1cccc2[nH]ccc12
InChIInChI=1S/C14H20N2O/c1-11(7-9-17-2)16-10-12-4-3-5-14-13(12)6-8-15-14/h3-6,8,11,15-16H,7,9-10H2,1-2H3
InChIKeyUACKJJDIICCGAL-UHFFFAOYSA-N
XLogP2.68
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696
(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
CID 104868036
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline
CID 102847657
(1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81367023
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 63001392
(1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81373106
(1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81353840
N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine
CID 62733353
N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine
CID 64606050
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 119125336
N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 62999754

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine (CID 63001738) is N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine is COCCC(C)NCc1cccc2[nH]ccc12.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine?
The InChIKey is UACKJJDIICCGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(7-9-17-2)16-10-12-4-3-5-14-13(12)6-8-15-14/h3-6,8,11,15-16H,7,9-10H2,1-2H3.
What are the key properties of N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine?
N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine has a molecular weight of 232.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine is sourced from PubChem (CID 63001738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).