(1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine

C18H26N2O — CID 97231176

IUPAC(1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine
SMILESCc1ccc2c(CCN[C@H](C)C3CCOCC3)c[nH]c2c1
InChIInChI=1S/C18H26N2O/c1-13-3-4-17-16(12-20-18(17)11-13)5-8-19-14(2)15-6-9-21-10-7-15/h3-4,11-12,14-15,19-20H,5-10H2,1-2H3/t14-/m1/s1
InChIKeyIGAWLLBVYZVPGX-CQSZACIVSA-N
MW286.42 g/mol
LogP3.42
Rot. Bonds5

About (1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine

(1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine (PubChem CID 97231176) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine
PubChem CID97231176
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine
SMILESCc1ccc2c(CCN[C@H](C)C3CCOCC3)c[nH]c2c1
InChIInChI=1S/C18H26N2O/c1-13-3-4-17-16(12-20-18(17)11-13)5-8-19-14(2)15-6-9-21-10-7-15/h3-4,11-12,14-15,19-20H,5-10H2,1-2H3/t14-/m1/s1
InChIKeyIGAWLLBVYZVPGX-CQSZACIVSA-N
XLogP3.42
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 84587801
N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82493176
N-[2-(6-methyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 82497315
4-(1-hydroxyethyl)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 111438569
2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 119110585
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111092552
(2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine
CID 171764220
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86875671
N-methyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 68579797
N-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide
CID 97226464
1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86875661
2-(6-methyl-1H-indol-3-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethanamine
CID 120916554

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of (1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine (CID 97231176) is (1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for (1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for (1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine is Cc1ccc2c(CCN[C@H](C)C3CCOCC3)c[nH]c2c1.
What is the InChIKey of (1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is IGAWLLBVYZVPGX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-3-4-17-16(12-20-18(17)11-13)5-8-19-14(2)15-6-9-21-10-7-15/h3-4,11-12,14-15,19-20H,5-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine?
(1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine has a molecular weight of 286.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 97231176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).