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

C17H28N2O2 — CID 103532396

IUPACN-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine
SMILESCCCNC(CN1CC(OC)C(OC)C1)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-4-10-18-15(14-8-6-5-7-9-14)11-19-12-16(20-2)17(13-19)21-3/h5-9,15-18H,4,10-13H2,1-3H3
InChIKeyXNXWSLRLMMYVEM-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.07
Rot. Bonds8

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

N-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine (PubChem CID 103532396) 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)-1-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine
PubChem CID103532396
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine
SMILESCCCNC(CN1CC(OC)C(OC)C1)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-4-10-18-15(14-8-6-5-7-9-14)11-19-12-16(20-2)17(13-19)21-3/h5-9,15-18H,4,10-13H2,1-3H3
InChIKeyXNXWSLRLMMYVEM-UHFFFAOYSA-N
XLogP2.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethyl]propan-1-amine
CID 104958381
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
CID 63469310
3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 79184402
N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 102967163
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 103532454
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 63624687
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 65301960
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine (CID 103532396) is N-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine is CCCNC(CN1CC(OC)C(OC)C1)c1ccccc1.
What is the InChIKey of N-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine?
The InChIKey is XNXWSLRLMMYVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-10-18-15(14-8-6-5-7-9-14)11-19-12-16(20-2)17(13-19)21-3/h5-9,15-18H,4,10-13H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine?
N-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 2.07, 8 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)-1-phenylethyl]propan-1-amine is sourced from PubChem (CID 103532396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).