3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine

C14H20Cl2N2O — CID 83941084

IUPAC3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCOc1c(Cl)cc(Cl)cc1C(CCN)N1CCCC1
InChIInChI=1S/C14H20Cl2N2O/c1-19-14-11(8-10(15)9-12(14)16)13(4-5-17)18-6-2-3-7-18/h8-9,13H,2-7,17H2,1H3
InChIKeyZJJGXXWUMPPDHN-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.49
Rot. Bonds5

About 3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine

3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 83941084) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID83941084
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCOc1c(Cl)cc(Cl)cc1C(CCN)N1CCCC1
InChIInChI=1S/C14H20Cl2N2O/c1-19-14-11(8-10(15)9-12(14)16)13(4-5-17)18-6-2-3-7-18/h8-9,13H,2-7,17H2,1H3
InChIKeyZJJGXXWUMPPDHN-UHFFFAOYSA-N
XLogP3.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83941206
3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine
CID 83934065
(1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine
CID 66517963
3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83942051
2-amino-2-(3,5-dichloro-2-methoxyphenyl)ethanethiol
CID 116830511
3-pyrrolidin-1-yl-3-(2,3,6-trichlorophenyl)propan-1-amine
CID 83925122
2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 63631314
1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021
3-(2-methylphenyl)-3-piperidin-1-ylpropan-1-amine
CID 82082601
2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol
CID 83941077
3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83920926
2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine
CID 60788814

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 83941084) is 3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine is COc1c(Cl)cc(Cl)cc1C(CCN)N1CCCC1.
What is the InChIKey of 3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is ZJJGXXWUMPPDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-19-14-11(8-10(15)9-12(14)16)13(4-5-17)18-6-2-3-7-18/h8-9,13H,2-7,17H2,1H3.
What are the key properties of 3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 303.23 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 83941084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).