N,N-dimethyl-3-(3-methyl-3-phenyl-2H-indol-1-yl)propan-1-amine;dihydrochloride

C20H28Cl2N2 — CID 138399306

IUPACN,N-dimethyl-3-(3-methyl-3-phenyl-2H-indol-1-yl)propan-1-amine;dihydrochloride
SMILESCN(C)CCCN1CC(C)(c2ccccc2)c2ccccc21.Cl.Cl
InChIInChI=1S/C20H26N2.2ClH/c1-20(17-10-5-4-6-11-17)16-22(15-9-14-21(2)3)19-13-8-7-12-18(19)20;;/h4-8,10-13H,9,14-16H2,1-3H3;2*1H
InChIKeySQEHJVDJYATVFZ-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.61
Rot. Bonds5

About N,N-dimethyl-3-(3-methyl-3-phenyl-2H-indol-1-yl)propan-1-amine;dihydrochloride

N,N-dimethyl-3-(3-methyl-3-phenyl-2H-indol-1-yl)propan-1-amine;dihydrochloride (PubChem CID 138399306) has the molecular formula C20H28Cl2N2 and a molecular weight of 367.36 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-methyl-3-phenyl-2H-indol-1-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-methyl-3-phenyl-2H-indol-1-yl)propan-1-amine;dihydrochloride
PubChem CID138399306
Molecular FormulaC20H28Cl2N2
Molecular Weight367.36 g/mol
Exact Mass366.16
IUPAC NameN,N-dimethyl-3-(3-methyl-3-phenyl-2H-indol-1-yl)propan-1-amine;dihydrochloride
SMILESCN(C)CCCN1CC(C)(c2ccccc2)c2ccccc21.Cl.Cl
InChIInChI=1S/C20H26N2.2ClH/c1-20(17-10-5-4-6-11-17)16-22(15-9-14-21(2)3)19-13-8-7-12-18(19)20;;/h4-8,10-13H,9,14-16H2,1-3H3;2*1H
InChIKeySQEHJVDJYATVFZ-UHFFFAOYSA-N
XLogP4.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-methyl-3-phenyl-2H-indol-1-yl)propan-1-amine;dihydrochloride?
The IUPAC name of N,N-dimethyl-3-(3-methyl-3-phenyl-2H-indol-1-yl)propan-1-amine;dihydrochloride (CID 138399306) is N,N-dimethyl-3-(3-methyl-3-phenyl-2H-indol-1-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-3-(3-methyl-3-phenyl-2H-indol-1-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-3-(3-methyl-3-phenyl-2H-indol-1-yl)propan-1-amine;dihydrochloride is CN(C)CCCN1CC(C)(c2ccccc2)c2ccccc21.Cl.Cl.
What is the InChIKey of N,N-dimethyl-3-(3-methyl-3-phenyl-2H-indol-1-yl)propan-1-amine;dihydrochloride?
The InChIKey is SQEHJVDJYATVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2.2ClH/c1-20(17-10-5-4-6-11-17)16-22(15-9-14-21(2)3)19-13-8-7-12-18(19)20;;/h4-8,10-13H,9,14-16H2,1-3H3;2*1H.
What are the key properties of N,N-dimethyl-3-(3-methyl-3-phenyl-2H-indol-1-yl)propan-1-amine;dihydrochloride?
N,N-dimethyl-3-(3-methyl-3-phenyl-2H-indol-1-yl)propan-1-amine;dihydrochloride has a molecular weight of 367.36 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-methyl-3-phenyl-2H-indol-1-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 138399306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).