1-(1-benzylindol-3-yl)propan-2-amine;hydrochloride

C18H21ClN2 — CID 23724407

IUPAC1-(1-benzylindol-3-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1cn(Cc2ccccc2)c2ccccc12.Cl
InChIInChI=1S/C18H20N2.ClH/c1-14(19)11-16-13-20(12-15-7-3-2-4-8-15)18-10-6-5-9-17(16)18;/h2-10,13-14H,11-12,19H2,1H3;1H
InChIKeyYHVUTBFBEFHTNK-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.00
Rot. Bonds4

About 1-(1-benzylindol-3-yl)propan-2-amine;hydrochloride

1-(1-benzylindol-3-yl)propan-2-amine;hydrochloride (PubChem CID 23724407) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-(1-benzylindol-3-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(1-benzylindol-3-yl)propan-2-amine;hydrochloride
PubChem CID23724407
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-(1-benzylindol-3-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1cn(Cc2ccccc2)c2ccccc12.Cl
InChIInChI=1S/C18H20N2.ClH/c1-14(19)11-16-13-20(12-15-7-3-2-4-8-15)18-10-6-5-9-17(16)18;/h2-10,13-14H,11-12,19H2,1H3;1H
InChIKeyYHVUTBFBEFHTNK-UHFFFAOYSA-N
XLogP4.00
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Latrepirdine
CID 197033

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylindol-3-yl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(1-benzylindol-3-yl)propan-2-amine;hydrochloride (CID 23724407) is 1-(1-benzylindol-3-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(1-benzylindol-3-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(1-benzylindol-3-yl)propan-2-amine;hydrochloride is CC(N)Cc1cn(Cc2ccccc2)c2ccccc12.Cl.
What is the InChIKey of 1-(1-benzylindol-3-yl)propan-2-amine;hydrochloride?
The InChIKey is YHVUTBFBEFHTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2.ClH/c1-14(19)11-16-13-20(12-15-7-3-2-4-8-15)18-10-6-5-9-17(16)18;/h2-10,13-14H,11-12,19H2,1H3;1H.
What are the key properties of 1-(1-benzylindol-3-yl)propan-2-amine;hydrochloride?
1-(1-benzylindol-3-yl)propan-2-amine;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylindol-3-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 23724407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).