1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine

C16H25ClN2O2 — CID 103539176

IUPAC1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CC(OC)C(OC)C1)c1ccccc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-18-14(12-6-4-5-7-13(12)17)8-9-19-10-15(20-2)16(11-19)21-3/h4-7,14-16,18H,8-11H2,1-3H3
InChIKeyHIHHEAWIWRRNHW-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.34
Rot. Bonds7

About 1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine

1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine (PubChem CID 103539176) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine
PubChem CID103539176
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CC(OC)C(OC)C1)c1ccccc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-18-14(12-6-4-5-7-13(12)17)8-9-19-10-15(20-2)16(11-19)21-3/h4-7,14-16,18H,8-11H2,1-3H3
InChIKeyHIHHEAWIWRRNHW-UHFFFAOYSA-N
XLogP2.34
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 63635128
1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine
CID 63635659
1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine
CID 61412300
1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103539152
1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154
[1-[3-(2-chlorophenyl)-3-(methylamino)propyl]azepan-2-yl]methanol
CID 116638092
1-(2-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103538884
1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 102886573
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
1-(2-chlorophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine
CID 103531121
1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62645335
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62644958

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine (CID 103539176) is 1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine is CNC(CCN1CC(OC)C(OC)C1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine?
The InChIKey is HIHHEAWIWRRNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-18-14(12-6-4-5-7-13(12)17)8-9-19-10-15(20-2)16(11-19)21-3/h4-7,14-16,18H,8-11H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine?
1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine has a molecular weight of 312.84 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 103539176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).