[1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine

C17H24N2O — CID 95432584

IUPAC[1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine
SMILESCCOc1ccc2[nH]cc(C3(CN)CCCCC3)c2c1
InChIInChI=1S/C17H24N2O/c1-2-20-13-6-7-16-14(10-13)15(11-19-16)17(12-18)8-4-3-5-9-17/h6-7,10-11,19H,2-5,8-9,12,18H2,1H3
InChIKeyMHCRSRDWMVTPDS-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.73
Rot. Bonds4

About [1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine

[1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine (PubChem CID 95432584) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine
PubChem CID95432584
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine
SMILESCCOc1ccc2[nH]cc(C3(CN)CCCCC3)c2c1
InChIInChI=1S/C17H24N2O/c1-2-20-13-6-7-16-14(10-13)15(11-19-16)17(12-18)8-4-3-5-9-17/h6-7,10-11,19H,2-5,8-9,12,18H2,1H3
InChIKeyMHCRSRDWMVTPDS-UHFFFAOYSA-N
XLogP3.73
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 82278313
[1-(6-methyl-1H-indol-3-yl)cyclopentyl]methanamine
CID 82494852
5-ethoxy-3-methyl-1H-indole
CID 82490542
[1-(4-methoxy-3-methyl-1H-indol-5-yl)cyclohexyl]methanamine
CID 117434063
ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine
CID 159069082
[1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine
CID 117371857
[1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine
CID 117343197
[1-(7-ethyl-1H-indol-3-yl)cyclohexyl]methanamine
CID 82278267
5-ethoxy-1H-indazol-3-amine
CID 21409200
[1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine
CID 96679652
[1-(1H-indol-4-yl)cyclobutyl]methanamine
CID 82607708
2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine
CID 98783922

Frequently Asked Questions

What is the IUPAC name of [1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine (CID 95432584) is [1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine is CCOc1ccc2[nH]cc(C3(CN)CCCCC3)c2c1.
What is the InChIKey of [1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine?
The InChIKey is MHCRSRDWMVTPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-20-13-6-7-16-14(10-13)15(11-19-16)17(12-18)8-4-3-5-9-17/h6-7,10-11,19H,2-5,8-9,12,18H2,1H3.
What are the key properties of [1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine?
[1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine has a molecular weight of 272.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine is sourced from PubChem (CID 95432584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).