[4-[2-amino-1-(2-methyl-1H-indol-3-yl)ethyl]cyclohexyl]methanol

C18H26N2O — CID 83976649

IUPAC[4-[2-amino-1-(2-methyl-1H-indol-3-yl)ethyl]cyclohexyl]methanol
SMILESCc1[nH]c2ccccc2c1C(CN)C1CCC(CO)CC1
InChIInChI=1S/C18H26N2O/c1-12-18(15-4-2-3-5-17(15)20-12)16(10-19)14-8-6-13(11-21)7-9-14/h2-5,13-14,16,20-21H,6-11,19H2,1H3
InChIKeyPORMBDRFQOXTHY-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.32
Rot. Bonds4

About [4-[2-amino-1-(2-methyl-1H-indol-3-yl)ethyl]cyclohexyl]methanol

[4-[2-amino-1-(2-methyl-1H-indol-3-yl)ethyl]cyclohexyl]methanol (PubChem CID 83976649) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [4-[2-amino-1-(2-methyl-1H-indol-3-yl)ethyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[2-amino-1-(2-methyl-1H-indol-3-yl)ethyl]cyclohexyl]methanol
PubChem CID83976649
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[4-[2-amino-1-(2-methyl-1H-indol-3-yl)ethyl]cyclohexyl]methanol
SMILESCc1[nH]c2ccccc2c1C(CN)C1CCC(CO)CC1
InChIInChI=1S/C18H26N2O/c1-12-18(15-4-2-3-5-17(15)20-12)16(10-19)14-8-6-13(11-21)7-9-14/h2-5,13-14,16,20-21H,6-11,19H2,1H3
InChIKeyPORMBDRFQOXTHY-UHFFFAOYSA-N
XLogP3.32
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
(2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol
CID 43146530
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol
CID 170819227
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034
4-amino-4-(2-methyl-1H-indol-3-yl)butan-1-ol
CID 116861434
[4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol
CID 83974412
3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole
CID 102450410
2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole
CID 82300707
1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol
CID 116830002
(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171226427
2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanamine
CID 82301212

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-1-(2-methyl-1H-indol-3-yl)ethyl]cyclohexyl]methanol?
The IUPAC name of [4-[2-amino-1-(2-methyl-1H-indol-3-yl)ethyl]cyclohexyl]methanol (CID 83976649) is [4-[2-amino-1-(2-methyl-1H-indol-3-yl)ethyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[2-amino-1-(2-methyl-1H-indol-3-yl)ethyl]cyclohexyl]methanol?
The canonical SMILES for [4-[2-amino-1-(2-methyl-1H-indol-3-yl)ethyl]cyclohexyl]methanol is Cc1[nH]c2ccccc2c1C(CN)C1CCC(CO)CC1.
What is the InChIKey of [4-[2-amino-1-(2-methyl-1H-indol-3-yl)ethyl]cyclohexyl]methanol?
The InChIKey is PORMBDRFQOXTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-18(15-4-2-3-5-17(15)20-12)16(10-19)14-8-6-13(11-21)7-9-14/h2-5,13-14,16,20-21H,6-11,19H2,1H3.
What are the key properties of [4-[2-amino-1-(2-methyl-1H-indol-3-yl)ethyl]cyclohexyl]methanol?
[4-[2-amino-1-(2-methyl-1H-indol-3-yl)ethyl]cyclohexyl]methanol has a molecular weight of 286.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-1-(2-methyl-1H-indol-3-yl)ethyl]cyclohexyl]methanol is sourced from PubChem (CID 83976649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).