N-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylethyl]propan-2-amine

C17H28N2O2 — CID 103539932

IUPACN-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylethyl]propan-2-amine
SMILESCOC1CN(C(CNC(C)C)c2ccccc2)CC1OC
InChIInChI=1S/C17H28N2O2/c1-13(2)18-10-15(14-8-6-5-7-9-14)19-11-16(20-3)17(12-19)21-4/h5-9,13,15-18H,10-12H2,1-4H3
InChIKeyYVNSWJQARGXSBC-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.07
Rot. Bonds7

About N-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylethyl]propan-2-amine

N-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylethyl]propan-2-amine (PubChem CID 103539932) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylethyl]propan-2-amine
PubChem CID103539932
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylethyl]propan-2-amine
SMILESCOC1CN(C(CNC(C)C)c2ccccc2)CC1OC
InChIInChI=1S/C17H28N2O2/c1-13(2)18-10-15(14-8-6-5-7-9-14)19-11-16(20-3)17(12-19)21-4/h5-9,13,15-18H,10-12H2,1-4H3
InChIKeyYVNSWJQARGXSBC-UHFFFAOYSA-N
XLogP2.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine
CID 79183761
N,N,4-trimethyl-1-[1-phenyl-2-(propan-2-ylamino)ethyl]pyrrolidin-3-amine
CID 81463881
N-[2-(2,5-dimethylmorpholin-4-yl)-2-phenylethyl]propan-2-amine
CID 62431897
2-(3,4-dimethoxypyrrolidin-1-yl)-4-phenylpentan-1-amine
CID 103531767
N-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine
CID 103532396
1-cyclobutyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine
CID 115704706
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine
CID 115562272
N-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43363202
N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine
CID 103539682
N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine
CID 62108282
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine
CID 115562211

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylethyl]propan-2-amine?
The IUPAC name of N-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylethyl]propan-2-amine (CID 103539932) is N-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylethyl]propan-2-amine?
The canonical SMILES for N-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylethyl]propan-2-amine is COC1CN(C(CNC(C)C)c2ccccc2)CC1OC.
What is the InChIKey of N-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylethyl]propan-2-amine?
The InChIKey is YVNSWJQARGXSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)18-10-15(14-8-6-5-7-9-14)19-11-16(20-3)17(12-19)21-4/h5-9,13,15-18H,10-12H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylethyl]propan-2-amine?
N-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylethyl]propan-2-amine has a molecular weight of 292.42 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylethyl]propan-2-amine is sourced from PubChem (CID 103539932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).