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

C12H16Cl2N2 — CID 107423899

IUPACN-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine
SMILESCC1(NCc2cccc(Cl)c2Cl)CCNC1
InChIInChI=1S/C12H16Cl2N2/c1-12(5-6-15-8-12)16-7-9-3-2-4-10(13)11(9)14/h2-4,15-16H,5-8H2,1H3
InChIKeyUXYAUBBSUCTTIC-UHFFFAOYSA-N
MW259.18 g/mol
LogP2.84
Rot. Bonds3

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

N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine (PubChem CID 107423899) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine
PubChem CID107423899
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine
SMILESCC1(NCc2cccc(Cl)c2Cl)CCNC1
InChIInChI=1S/C12H16Cl2N2/c1-12(5-6-15-8-12)16-7-9-3-2-4-10(13)11(9)14/h2-4,15-16H,5-8H2,1H3
InChIKeyUXYAUBBSUCTTIC-UHFFFAOYSA-N
XLogP2.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-3-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423886
N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine
CID 115768729
N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423450
N-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine
CID 103897522
N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine
CID 4719250
2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422948
N-[(5-chloropyrazin-2-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107424751
N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107424604
2-(2,3-dichlorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 107311355
2-chloro-6-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]phenol
CID 112606448
3-methyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 107424178
N-[(2-chlorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43424910

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine (CID 107423899) is N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine is CC1(NCc2cccc(Cl)c2Cl)CCNC1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine?
The InChIKey is UXYAUBBSUCTTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c1-12(5-6-15-8-12)16-7-9-3-2-4-10(13)11(9)14/h2-4,15-16H,5-8H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine?
N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine has a molecular weight of 259.18 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine is sourced from PubChem (CID 107423899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).