1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine

C12H17ClN2 — CID 60862449

IUPAC1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2cc(Cl)ccc2C)C1
InChIInChI=1S/C12H17ClN2/c1-9-3-4-10(13)7-12(9)15-6-5-11(8-15)14-2/h3-4,7,11,14H,5-6,8H2,1-2H3
InChIKeyHAAZNBMYDLCZMN-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.45
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine

1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine (PubChem CID 60862449) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine
PubChem CID60862449
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2cc(Cl)ccc2C)C1
InChIInChI=1S/C12H17ClN2/c1-9-3-4-10(13)7-12(9)15-6-5-11(8-15)14-2/h3-4,7,11,14H,5-6,8H2,1-2H3
InChIKeyHAAZNBMYDLCZMN-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine
CID 117002914
1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine
CID 60862451
1-(5-chloro-2-methylphenyl)-N-ethylpiperidin-4-amine
CID 54927324
1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine
CID 60860793
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine
CID 63035988
1-(3,5-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60862129
1-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 110927871
1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine
CID 81280758
3-[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002604
1-(2,5-dimethylphenyl)-N-propylpyrrolidin-3-amine
CID 43314896
1-(5-chloro-2-methylphenyl)piperazine
CID 693767
2-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-1-cyclohexylguanidine
CID 111094788

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine (CID 60862449) is 1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine is CNC1CCN(c2cc(Cl)ccc2C)C1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine?
The InChIKey is HAAZNBMYDLCZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9-3-4-10(13)7-12(9)15-6-5-11(8-15)14-2/h3-4,7,11,14H,5-6,8H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine?
1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine has a molecular weight of 224.73 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 60862449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).