N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine

C12H16Cl2N2 — CID 61462296

IUPACN-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C12H16Cl2N2/c1-16-6-5-10(8-16)15-7-9-3-2-4-11(13)12(9)14/h2-4,10,15H,5-8H2,1H3
InChIKeyMLEAHEPDNIAJPX-UHFFFAOYSA-N
MW259.18 g/mol
LogP2.79
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine

N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine (PubChem CID 61462296) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine
PubChem CID61462296
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C12H16Cl2N2/c1-16-6-5-10(8-16)15-7-9-3-2-4-11(13)12(9)14/h2-4,10,15H,5-8H2,1H3
InChIKeyMLEAHEPDNIAJPX-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 112554706
N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 112651913
N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 115695883
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 30034860
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine
CID 62975581
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671641
N-[(2,3-dichlorophenyl)methyl]oxan-4-amine
CID 43609707
N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 63667562
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine (CID 61462296) is N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine is CN1CCC(NCc2cccc(Cl)c2Cl)C1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine?
The InChIKey is MLEAHEPDNIAJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c1-16-6-5-10(8-16)15-7-9-3-2-4-11(13)12(9)14/h2-4,10,15H,5-8H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine?
N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine has a molecular weight of 259.18 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 61462296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).