1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine

C12H17ClN2O — CID 107622018

IUPAC1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2ccc(Cl)c(OC)c2)C1
InChIInChI=1S/C12H17ClN2O/c1-14-9-5-6-15(8-9)10-3-4-11(13)12(7-10)16-2/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyCPVIENBOKJCIPN-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.15
Rot. Bonds3

About 1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine

1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine (PubChem CID 107622018) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine
PubChem CID107622018
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2ccc(Cl)c(OC)c2)C1
InChIInChI=1S/C12H17ClN2O/c1-14-9-5-6-15(8-9)10-3-4-11(13)12(7-10)16-2/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyCPVIENBOKJCIPN-UHFFFAOYSA-N
XLogP2.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60860458
1-(4-chloro-3-methoxyphenyl)-3-methylpiperazine;dihydrochloride
CID 67103597
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
(3R)-1-(2-chloro-4-pyridinyl)-N-methylpyrrolidin-3-amine
CID 86652499
1-(3,5-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60862129
(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285994
1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine
CID 60860962
(2S)-1-(2-chloroethyl)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazine
CID 143061845
1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine
CID 107617221
1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine
CID 117002959
1-(4-chloro-3-methoxyphenyl)piperazine;propane
CID 145414306
1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one
CID 107623351

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine (CID 107622018) is 1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine is CNC1CCN(c2ccc(Cl)c(OC)c2)C1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine?
The InChIKey is CPVIENBOKJCIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-14-9-5-6-15(8-9)10-3-4-11(13)12(7-10)16-2/h3-4,7,9,14H,5-6,8H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine?
1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine has a molecular weight of 240.73 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 107622018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).