N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride

C19H23ClN2 — CID 17158293

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride
SMILESCC(CNCCc1c[nH]c2ccccc12)c1ccccc1.Cl
InChIInChI=1S/C19H22N2.ClH/c1-15(16-7-3-2-4-8-16)13-20-12-11-17-14-21-19-10-6-5-9-18(17)19;/h2-10,14-15,20-21H,11-13H2,1H3;1H
InChIKeyMDIFELYDSCDAPS-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.53
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride

N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride (PubChem CID 17158293) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride
PubChem CID17158293
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride
SMILESCC(CNCCc1c[nH]c2ccccc12)c1ccccc1.Cl
InChIInChI=1S/C19H22N2.ClH/c1-15(16-7-3-2-4-8-16)13-20-12-11-17-14-21-19-10-6-5-9-18(17)19;/h2-10,14-15,20-21H,11-13H2,1H3;1H
InChIKeyMDIFELYDSCDAPS-UHFFFAOYSA-N
XLogP4.53
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
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2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
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CID 171155113

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride (CID 17158293) is N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride is CC(CNCCc1c[nH]c2ccccc12)c1ccccc1.Cl.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride?
The InChIKey is MDIFELYDSCDAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2.ClH/c1-15(16-7-3-2-4-8-16)13-20-12-11-17-14-21-19-10-6-5-9-18(17)19;/h2-10,14-15,20-21H,11-13H2,1H3;1H.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride?
N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride is sourced from PubChem (CID 17158293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).