4-[2-(1H-indol-3-yl)ethoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine

C24H30N2O — CID 118711486

IUPAC4-[2-(1H-indol-3-yl)ethoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine
SMILESCN(C)C1(c2ccccc2)CCC(OCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H30N2O/c1-26(2)24(20-8-4-3-5-9-20)15-12-21(13-16-24)27-17-14-19-18-25-23-11-7-6-10-22(19)23/h3-11,18,21,25H,12-17H2,1-2H3
InChIKeyODGVWVZPVJLUQP-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.13
Rot. Bonds6

About 4-[2-(1H-indol-3-yl)ethoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine

4-[2-(1H-indol-3-yl)ethoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine (PubChem CID 118711486) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)ethoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)ethoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine
PubChem CID118711486
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name4-[2-(1H-indol-3-yl)ethoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine
SMILESCN(C)C1(c2ccccc2)CCC(OCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H30N2O/c1-26(2)24(20-8-4-3-5-9-20)15-12-21(13-16-24)27-17-14-19-18-25-23-11-7-6-10-22(19)23/h3-11,18,21,25H,12-17H2,1-2H3
InChIKeyODGVWVZPVJLUQP-UHFFFAOYSA-N
XLogP5.13
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)ethoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The IUPAC name of 4-[2-(1H-indol-3-yl)ethoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine (CID 118711486) is 4-[2-(1H-indol-3-yl)ethoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)ethoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The canonical SMILES for 4-[2-(1H-indol-3-yl)ethoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine is CN(C)C1(c2ccccc2)CCC(OCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 4-[2-(1H-indol-3-yl)ethoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The InChIKey is ODGVWVZPVJLUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-26(2)24(20-8-4-3-5-9-20)15-12-21(13-16-24)27-17-14-19-18-25-23-11-7-6-10-22(19)23/h3-11,18,21,25H,12-17H2,1-2H3.
What are the key properties of 4-[2-(1H-indol-3-yl)ethoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
4-[2-(1H-indol-3-yl)ethoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine has a molecular weight of 362.52 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)ethoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine is sourced from PubChem (CID 118711486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).