1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine

C11H14Cl2N2 — CID 60860458

IUPAC1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H14Cl2N2/c1-14-8-4-5-15(7-8)9-2-3-10(12)11(13)6-9/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyVGMZVIYFAHNIHU-UHFFFAOYSA-N
MW245.15 g/mol
LogP2.79
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine

1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine (PubChem CID 60860458) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
PubChem CID60860458
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H14Cl2N2/c1-14-8-4-5-15(7-8)9-2-3-10(12)11(13)6-9/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyVGMZVIYFAHNIHU-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine
CID 107622018
(3R)-1-(2-chloro-4-pyridinyl)-N-methylpyrrolidin-3-amine
CID 86652499
1-(3,5-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60862129
1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine
CID 107617221
(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285994
N-methyl-1-(5-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 107585704
N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792830
1-(4-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine
CID 107613078
3-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoylamino]propanoic acid
CID 122009296
1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122009300
8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738935
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine (CID 60860458) is 1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine is CNC1CCN(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine?
The InChIKey is VGMZVIYFAHNIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c1-14-8-4-5-15(7-8)9-2-3-10(12)11(13)6-9/h2-3,6,8,14H,4-5,7H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine?
1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine has a molecular weight of 245.15 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 60860458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).