4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol

C15H19ClN2O — CID 78968534

IUPAC4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2c[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C15H19ClN2O/c16-11-1-6-14-10(9-18-15(14)7-11)8-17-12-2-4-13(19)5-3-12/h1,6-7,9,12-13,17-19H,2-5,8H2
InChIKeyPCUZGFRJKQURMP-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.21
Rot. Bonds3

About 4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol

4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol (PubChem CID 78968534) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol
PubChem CID78968534
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2c[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C15H19ClN2O/c16-11-1-6-14-10(9-18-15(14)7-11)8-17-12-2-4-13(19)5-3-12/h1,6-7,9,12-13,17-19H,2-5,8H2
InChIKeyPCUZGFRJKQURMP-UHFFFAOYSA-N
XLogP3.21
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-chloro-1H-indol-3-yl)methyl]-4-methylcyclohexan-1-amine
CID 78968600
N-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544239
[2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol
CID 106359414
tert-butyl 3-[(6-chloro-1H-indol-3-yl)methylamino]azetidine-1-carboxylate
CID 107241823
N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine
CID 114107722
6-chloro-3-(3-methylbut-2-enyl)-1H-indole
CID 11074898
2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426163
3-(bromomethyl)-6-chloro-1H-indole
CID 131288743
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
CID 106328237
3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 106100191
3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol
CID 78971605
N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113083858

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol (CID 78968534) is 4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol is OC1CCC(NCc2c[nH]c3cc(Cl)ccc23)CC1.
What is the InChIKey of 4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol?
The InChIKey is PCUZGFRJKQURMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-11-1-6-14-10(9-18-15(14)7-11)8-17-12-2-4-13(19)5-3-12/h1,6-7,9,12-13,17-19H,2-5,8H2.
What are the key properties of 4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol?
4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol has a molecular weight of 278.78 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 78968534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).