3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine

C14H20ClN — CID 63388705

IUPAC3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine
SMILESCc1cc(C)cc(CN2CCC(CCl)C2)c1
InChIInChI=1S/C14H20ClN/c1-11-5-12(2)7-14(6-11)10-16-4-3-13(8-15)9-16/h5-7,13H,3-4,8-10H2,1-2H3
InChIKeyHOOFPFKYRGQGRG-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.36
Rot. Bonds3

About 3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine

3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine (PubChem CID 63388705) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine
PubChem CID63388705
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine
SMILESCc1cc(C)cc(CN2CCC(CCl)C2)c1
InChIInChI=1S/C14H20ClN/c1-11-5-12(2)7-14(6-11)10-16-4-3-13(8-15)9-16/h5-7,13H,3-4,8-10H2,1-2H3
InChIKeyHOOFPFKYRGQGRG-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine
CID 86880416
3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine
CID 102878825
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374
3-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]pyrrolidine
CID 130608757
1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910098
4-bromo-1-[(3,5-dimethylphenyl)methyl]piperidine
CID 80679343
3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine
CID 144719735
1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine
CID 63760734
[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 103840862
1-[(3-bromo-4-methoxyphenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388236
1-[(3-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388237
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine?
The IUPAC name of 3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine (CID 63388705) is 3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine is Cc1cc(C)cc(CN2CCC(CCl)C2)c1.
What is the InChIKey of 3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine?
The InChIKey is HOOFPFKYRGQGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11-5-12(2)7-14(6-11)10-16-4-3-13(8-15)9-16/h5-7,13H,3-4,8-10H2,1-2H3.
What are the key properties of 3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine?
3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine has a molecular weight of 237.77 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 63388705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).