3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol

C10H11ClN2O — CID 84678039

IUPAC3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol
SMILESCc1[nH]c2ccc(O)c(Cl)c2c1CN
InChIInChI=1S/C10H11ClN2O/c1-5-6(4-12)9-7(13-5)2-3-8(14)10(9)11/h2-3,13-14H,4,12H2,1H3
InChIKeyIWWWBUGUGHSXTQ-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.29
Rot. Bonds1

About 3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol

3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol (PubChem CID 84678039) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol.

Molecular Properties

Compound Name3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol
PubChem CID84678039
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol
SMILESCc1[nH]c2ccc(O)c(Cl)c2c1CN
InChIInChI=1S/C10H11ClN2O/c1-5-6(4-12)9-7(13-5)2-3-8(14)10(9)11/h2-3,13-14H,4,12H2,1H3
InChIKeyIWWWBUGUGHSXTQ-UHFFFAOYSA-N
XLogP2.29
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile
CID 84674723
3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-ol
CID 105464578
4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid
CID 84701518
4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole
CID 145463036
2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride
CID 84814114
2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid
CID 84795947
(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82494649
(4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine
CID 105449673
(2,6-dimethyl-1H-indol-3-yl)methanamine
CID 82411351
1-chloro-2-hydroxy-10H-acridin-9-one
CID 131713832
2-[5-methoxy-2-methyl-4-(2,4,6-trichlorobenzoyl)-1H-indol-3-yl]acetic acid
CID 19919980
2-chloro-3-dodecylbenzene-1,4-diol
CID 54013851

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol?
The IUPAC name of 3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol (CID 84678039) is 3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol.
What is the SMILES notation for 3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol?
The canonical SMILES for 3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol is Cc1[nH]c2ccc(O)c(Cl)c2c1CN.
What is the InChIKey of 3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol?
The InChIKey is IWWWBUGUGHSXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-5-6(4-12)9-7(13-5)2-3-8(14)10(9)11/h2-3,13-14H,4,12H2,1H3.
What are the key properties of 3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol?
3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol has a molecular weight of 210.66 g/mol, XLogP of 2.29, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol is sourced from PubChem (CID 84678039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).