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

C19H19ClN2 — CID 2979186

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-yn-1-amine;hydrochloride
SMILESC(#Cc1ccccc1)CNCCc1c[nH]c2ccccc12.Cl
InChIInChI=1S/C19H18N2.ClH/c1-2-7-16(8-3-1)9-6-13-20-14-12-17-15-21-19-11-5-4-10-18(17)19;/h1-5,7-8,10-11,15,20-21H,12-14H2;1H
InChIKeyLRTHGXDRGDIVMB-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.77
Rot. Bonds4

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

N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-yn-1-amine;hydrochloride (PubChem CID 2979186) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-yn-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-yn-1-amine;hydrochloride
PubChem CID2979186
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-yn-1-amine;hydrochloride
SMILESC(#Cc1ccccc1)CNCCc1c[nH]c2ccccc12.Cl
InChIInChI=1S/C19H18N2.ClH/c1-2-7-16(8-3-1)9-6-13-20-14-12-17-15-21-19-11-5-4-10-18(17)19;/h1-5,7-8,10-11,15,20-21H,12-14H2;1H
InChIKeyLRTHGXDRGDIVMB-UHFFFAOYSA-N
XLogP3.77
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide
CID 134217339
N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17158293
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 67232901
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine
CID 82089991
2-(1H-indol-3-yl)-N-tritylsulfanylethanamine
CID 23655840
(E)-but-2-enedioic acid;bis(N-ethyl-2-(1H-indol-3-yl)ethanamine)
CID 172871952
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
CID 82118518
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-yn-1-amine;hydrochloride?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-yn-1-amine;hydrochloride (CID 2979186) is N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-yn-1-amine;hydrochloride.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-yn-1-amine;hydrochloride?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-yn-1-amine;hydrochloride is C(#Cc1ccccc1)CNCCc1c[nH]c2ccccc12.Cl.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-yn-1-amine;hydrochloride?
The InChIKey is LRTHGXDRGDIVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2.ClH/c1-2-7-16(8-3-1)9-6-13-20-14-12-17-15-21-19-11-5-4-10-18(17)19;/h1-5,7-8,10-11,15,20-21H,12-14H2;1H.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-yn-1-amine;hydrochloride?
N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-yn-1-amine;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 3.77, 4 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]-3-phenylprop-2-yn-1-amine;hydrochloride is sourced from PubChem (CID 2979186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).