N-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine

C17H26N2O — CID 83162426

IUPACN-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine
SMILESCCOc1cccc2c1ccn2CCNC(CC)CC
InChIInChI=1S/C17H26N2O/c1-4-14(5-2)18-11-13-19-12-10-15-16(19)8-7-9-17(15)20-6-3/h7-10,12,14,18H,4-6,11,13H2,1-3H3
InChIKeyKRTIPSATMAFPGV-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.82
Rot. Bonds8

About N-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine

N-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine (PubChem CID 83162426) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine
PubChem CID83162426
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine
SMILESCCOc1cccc2c1ccn2CCNC(CC)CC
InChIInChI=1S/C17H26N2O/c1-4-14(5-2)18-11-13-19-12-10-15-16(19)8-7-9-17(15)20-6-3/h7-10,12,14,18H,4-6,11,13H2,1-3H3
InChIKeyKRTIPSATMAFPGV-UHFFFAOYSA-N
XLogP3.82
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyindol-1-yl)ethanol
CID 83174332
4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83173234
4-ethoxy-1-(2-methylbutyl)indole
CID 83173509
5-(4-ethoxyindol-1-yl)pentan-2-one
CID 83163108
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine
CID 83164736
2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine
CID 83163124
1-(cyclopropylmethyl)-4-ethoxyindole
CID 83173607
2-(4-ethoxyindol-1-yl)acetic acid
CID 83162473
4-(4-ethoxyindol-1-yl)-2,2-dimethylbutanoic acid
CID 83162756
4-ethoxy-1-(2-thiophen-3-ylethyl)indole
CID 83173883
N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine
CID 83164895
2-(4-ethoxyindol-1-yl)-N-ethylacetamide
CID 83173518

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine?
The IUPAC name of N-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine (CID 83162426) is N-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine.
What is the SMILES notation for N-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine?
The canonical SMILES for N-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine is CCOc1cccc2c1ccn2CCNC(CC)CC.
What is the InChIKey of N-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine?
The InChIKey is KRTIPSATMAFPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-14(5-2)18-11-13-19-12-10-15-16(19)8-7-9-17(15)20-6-3/h7-10,12,14,18H,4-6,11,13H2,1-3H3.
What are the key properties of N-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine?
N-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine has a molecular weight of 274.41 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 83162426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).