N,N-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride

C17H30Cl2N2O — CID 3079538

IUPACN,N-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride
SMILESCC(Cc1ccc(OCCN2CCCC2)cc1)N(C)C.Cl.Cl
InChIInChI=1S/C17H28N2O.2ClH/c1-15(18(2)3)14-16-6-8-17(9-7-16)20-13-12-19-10-4-5-11-19;;/h6-9,15H,4-5,10-14H2,1-3H3;2*1H
InChIKeyIQVQKHVPFDXQRS-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.50
Rot. Bonds7

About N,N-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride

N,N-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride (PubChem CID 3079538) has the molecular formula C17H30Cl2N2O and a molecular weight of 349.35 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride
PubChem CID3079538
Molecular FormulaC17H30Cl2N2O
Molecular Weight349.35 g/mol
Exact Mass348.17
IUPAC NameN,N-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride
SMILESCC(Cc1ccc(OCCN2CCCC2)cc1)N(C)C.Cl.Cl
InChIInChI=1S/C17H28N2O.2ClH/c1-15(18(2)3)14-16-6-8-17(9-7-16)20-13-12-19-10-4-5-11-19;;/h6-9,15H,4-5,10-14H2,1-3H3;2*1H
InChIKeyIQVQKHVPFDXQRS-UHFFFAOYSA-N
XLogP3.50
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride?
The IUPAC name of N,N-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride (CID 3079538) is N,N-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride is CC(Cc1ccc(OCCN2CCCC2)cc1)N(C)C.Cl.Cl.
What is the InChIKey of N,N-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride?
The InChIKey is IQVQKHVPFDXQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.2ClH/c1-15(18(2)3)14-16-6-8-17(9-7-16)20-13-12-19-10-4-5-11-19;;/h6-9,15H,4-5,10-14H2,1-3H3;2*1H.
What are the key properties of N,N-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride?
N,N-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride has a molecular weight of 349.35 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride is sourced from PubChem (CID 3079538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).