N-ethyl-N-[[2-(3-propan-2-yl-1H-indol-2-yl)-5-propylphenyl]methyl]ethanamine

C25H34N2 — CID 151559894

IUPACN-ethyl-N-[[2-(3-propan-2-yl-1H-indol-2-yl)-5-propylphenyl]methyl]ethanamine
SMILESCCCc1ccc(-c2[nH]c3ccccc3c2C(C)C)c(CN(CC)CC)c1
InChIInChI=1S/C25H34N2/c1-6-11-19-14-15-21(20(16-19)17-27(7-2)8-3)25-24(18(4)5)22-12-9-10-13-23(22)26-25/h9-10,12-16,18,26H,6-8,11,17H2,1-5H3
InChIKeyQCGBWSYYUALJDJ-UHFFFAOYSA-N
MW362.56 g/mol
LogP6.75
Rot. Bonds8

About N-ethyl-N-[[2-(3-propan-2-yl-1H-indol-2-yl)-5-propylphenyl]methyl]ethanamine

N-ethyl-N-[[2-(3-propan-2-yl-1H-indol-2-yl)-5-propylphenyl]methyl]ethanamine (PubChem CID 151559894) has the molecular formula C25H34N2 and a molecular weight of 362.56 g/mol. Its IUPAC name is N-ethyl-N-[[2-(3-propan-2-yl-1H-indol-2-yl)-5-propylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[2-(3-propan-2-yl-1H-indol-2-yl)-5-propylphenyl]methyl]ethanamine
PubChem CID151559894
Molecular FormulaC25H34N2
Molecular Weight362.56 g/mol
Exact Mass362.27
IUPAC NameN-ethyl-N-[[2-(3-propan-2-yl-1H-indol-2-yl)-5-propylphenyl]methyl]ethanamine
SMILESCCCc1ccc(-c2[nH]c3ccccc3c2C(C)C)c(CN(CC)CC)c1
InChIInChI=1S/C25H34N2/c1-6-11-19-14-15-21(20(16-19)17-27(7-2)8-3)25-24(18(4)5)22-12-9-10-13-23(22)26-25/h9-10,12-16,18,26H,6-8,11,17H2,1-5H3
InChIKeyQCGBWSYYUALJDJ-UHFFFAOYSA-N
XLogP6.75
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-(3-propan-2-yl-1H-indol-2-yl)-5-propylphenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[2-(3-propan-2-yl-1H-indol-2-yl)-5-propylphenyl]methyl]ethanamine (CID 151559894) is N-ethyl-N-[[2-(3-propan-2-yl-1H-indol-2-yl)-5-propylphenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[2-(3-propan-2-yl-1H-indol-2-yl)-5-propylphenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[2-(3-propan-2-yl-1H-indol-2-yl)-5-propylphenyl]methyl]ethanamine is CCCc1ccc(-c2[nH]c3ccccc3c2C(C)C)c(CN(CC)CC)c1.
What is the InChIKey of N-ethyl-N-[[2-(3-propan-2-yl-1H-indol-2-yl)-5-propylphenyl]methyl]ethanamine?
The InChIKey is QCGBWSYYUALJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2/c1-6-11-19-14-15-21(20(16-19)17-27(7-2)8-3)25-24(18(4)5)22-12-9-10-13-23(22)26-25/h9-10,12-16,18,26H,6-8,11,17H2,1-5H3.
What are the key properties of N-ethyl-N-[[2-(3-propan-2-yl-1H-indol-2-yl)-5-propylphenyl]methyl]ethanamine?
N-ethyl-N-[[2-(3-propan-2-yl-1H-indol-2-yl)-5-propylphenyl]methyl]ethanamine has a molecular weight of 362.56 g/mol, XLogP of 6.75, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-(3-propan-2-yl-1H-indol-2-yl)-5-propylphenyl]methyl]ethanamine is sourced from PubChem (CID 151559894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).