4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol

C13H18N2O — CID 76846681

IUPAC4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol
SMILESCc1cccc2c(C(O)CCCN)c[nH]c12
InChIInChI=1S/C13H18N2O/c1-9-4-2-5-10-11(8-15-13(9)10)12(16)6-3-7-14/h2,4-5,8,12,15-16H,3,6-7,14H2,1H3
InChIKeyNDAMHBMXSCASHX-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.25
Rot. Bonds4

About 4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol

4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol (PubChem CID 76846681) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol.

Molecular Properties

Compound Name4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol
PubChem CID76846681
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol
SMILESCc1cccc2c(C(O)CCCN)c[nH]c12
InChIInChI=1S/C13H18N2O/c1-9-4-2-5-10-11(8-15-13(9)10)12(16)6-3-7-14/h2,4-5,8,12,15-16H,3,6-7,14H2,1H3
InChIKeyNDAMHBMXSCASHX-UHFFFAOYSA-N
XLogP2.25
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-1-(1H-indol-3-yl)propan-1-ol
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2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
N-methyl-3-(7-methyl-1H-indol-3-yl)-3-phenylpropan-1-amine
CID 58088625
7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole
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2-(7-methyl-1H-indol-3-yl)-2-oxoacetamide
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CID 76846624

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol?
The IUPAC name of 4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol (CID 76846681) is 4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol.
What is the SMILES notation for 4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol?
The canonical SMILES for 4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol is Cc1cccc2c(C(O)CCCN)c[nH]c12.
What is the InChIKey of 4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol?
The InChIKey is NDAMHBMXSCASHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-4-2-5-10-11(8-15-13(9)10)12(16)6-3-7-14/h2,4-5,8,12,15-16H,3,6-7,14H2,1H3.
What are the key properties of 4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol?
4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol has a molecular weight of 218.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol is sourced from PubChem (CID 76846681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).