[1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine

C14H21ClN2 — CID 117017658

IUPAC[1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine
SMILESCc1cc(Cl)ccc1N1CCC(CN)C1(C)C
InChIInChI=1S/C14H21ClN2/c1-10-8-12(15)4-5-13(10)17-7-6-11(9-16)14(17,2)3/h4-5,8,11H,6-7,9,16H2,1-3H3
InChIKeyIGTMLYDOKSHTGM-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.21
Rot. Bonds2

About [1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine

[1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine (PubChem CID 117017658) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is [1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine
PubChem CID117017658
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name[1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine
SMILESCc1cc(Cl)ccc1N1CCC(CN)C1(C)C
InChIInChI=1S/C14H21ClN2/c1-10-8-12(15)4-5-13(10)17-7-6-11(9-16)14(17,2)3/h4-5,8,11H,6-7,9,16H2,1-3H3
InChIKeyIGTMLYDOKSHTGM-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
CID 117017576
2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine
CID 82298380
1-(4-chloro-2-methylphenyl)-5,5-dimethylpyrrolidine-3-carbonitrile
CID 117018322
8-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739477
1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol
CID 117019064
1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine
CID 117019252
1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine
CID 146272450
[2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine
CID 114075917
[1-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]methanol
CID 117017752
1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine
CID 117024465
1-(4-chloro-2-methylphenyl)-6,6-dimethylpiperidin-3-one
CID 117020944
1-(4-chloro-2-methylphenyl)-4,4-dimethylpiperidin-3-one
CID 117025193

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine (CID 117017658) is [1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine is Cc1cc(Cl)ccc1N1CCC(CN)C1(C)C.
What is the InChIKey of [1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine?
The InChIKey is IGTMLYDOKSHTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10-8-12(15)4-5-13(10)17-7-6-11(9-16)14(17,2)3/h4-5,8,11H,6-7,9,16H2,1-3H3.
What are the key properties of [1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine?
[1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine has a molecular weight of 252.79 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117017658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).