1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol

C14H20N2O — CID 114249890

IUPAC1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol
SMILESCC(C)C(O)Cn1ccc2c(CN)cccc21
InChIInChI=1S/C14H20N2O/c1-10(2)14(17)9-16-7-6-12-11(8-15)4-3-5-13(12)16/h3-7,10,14,17H,8-9,15H2,1-2H3
InChIKeyUPQFLIGDNJSQQZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.12
Rot. Bonds4

About 1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol

1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol (PubChem CID 114249890) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol
PubChem CID114249890
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol
SMILESCC(C)C(O)Cn1ccc2c(CN)cccc21
InChIInChI=1S/C14H20N2O/c1-10(2)14(17)9-16-7-6-12-11(8-15)4-3-5-13(12)16/h3-7,10,14,17H,8-9,15H2,1-2H3
InChIKeyUPQFLIGDNJSQQZ-UHFFFAOYSA-N
XLogP2.12
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol
CID 65279152
(2S)-1-(4-methylindol-1-yl)propan-2-ol
CID 67737659
1-(4-methylindol-1-yl)propan-2-ol
CID 10631504
[1-(2-cyclopropylethyl)indol-4-yl]methanamine
CID 107919256
[1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine
CID 114346645
[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine
CID 104792943
(1-cyclopropylindol-4-yl)methanamine
CID 115017108
[1-[(4-propan-2-ylmorpholin-2-yl)methyl]indol-4-yl]methanamine
CID 64532953
N-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine
CID 115106965
[1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine
CID 82920553
[1-[(4-chloro-2-fluorophenyl)methyl]indol-4-yl]methanamine
CID 114851516
[1-(hydroxymethyl)indol-4-yl]methanol
CID 129249901

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol (CID 114249890) is 1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol is CC(C)C(O)Cn1ccc2c(CN)cccc21.
What is the InChIKey of 1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol?
The InChIKey is UPQFLIGDNJSQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)14(17)9-16-7-6-12-11(8-15)4-3-5-13(12)16/h3-7,10,14,17H,8-9,15H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol?
1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol has a molecular weight of 232.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol is sourced from PubChem (CID 114249890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).