2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride

C19H23ClN2O — CID 75366101

IUPAC2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride
SMILESCC(C)Oc1ccc(-c2ccc3[nH]cc(CCN)c3c2)cc1.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-13(2)22-17-6-3-14(4-7-17)15-5-8-19-18(11-15)16(9-10-20)12-21-19;/h3-8,11-13,21H,9-10,20H2,1-2H3;1H
InChIKeyCNEHBOXACQZUQP-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.55
Rot. Bonds5

About 2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride

2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride (PubChem CID 75366101) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride
PubChem CID75366101
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride
SMILESCC(C)Oc1ccc(-c2ccc3[nH]cc(CCN)c3c2)cc1.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-13(2)22-17-6-3-14(4-7-17)15-5-8-19-18(11-15)16(9-10-20)12-21-19;/h3-8,11-13,21H,9-10,20H2,1-2H3;1H
InChIKeyCNEHBOXACQZUQP-UHFFFAOYSA-N
XLogP4.55
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine
CID 75465017
2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine
CID 10198700
oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine
CID 67816242
2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
CID 15342178
2-[4-(4-propan-2-yloxyphenyl)phenyl]ethanamine
CID 39357518
2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride
CID 134155855
5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine
CID 15341730
2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethanamine
CID 71510843
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine
CID 177026311
bis[3-(2-aminoethyl)-1H-indol-5-yl] hexanedioate
CID 57477029

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride (CID 75366101) is 2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride is CC(C)Oc1ccc(-c2ccc3[nH]cc(CCN)c3c2)cc1.Cl.
What is the InChIKey of 2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride?
The InChIKey is CNEHBOXACQZUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.ClH/c1-13(2)22-17-6-3-14(4-7-17)15-5-8-19-18(11-15)16(9-10-20)12-21-19;/h3-8,11-13,21H,9-10,20H2,1-2H3;1H.
What are the key properties of 2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride?
2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 75366101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).