1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine

C14H20BrN — CID 107084258

IUPAC1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCN1c1ccccc1CBr
InChIInChI=1S/C14H20BrN/c1-11(2)13-8-5-9-16(13)14-7-4-3-6-12(14)10-15/h3-4,6-7,11,13H,5,8-10H2,1-2H3
InChIKeyKKEWLPRXXARGGC-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.21
Rot. Bonds3

About 1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine

1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine (PubChem CID 107084258) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine
PubChem CID107084258
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCN1c1ccccc1CBr
InChIInChI=1S/C14H20BrN/c1-11(2)13-8-5-9-16(13)14-7-4-3-6-12(14)10-15/h3-4,6-7,11,13H,5,8-10H2,1-2H3
InChIKeyKKEWLPRXXARGGC-UHFFFAOYSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.21
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

[2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine
CID 114879719
1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine
CID 107084260
3-(bromomethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)quinoline
CID 107084254
2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine
CID 154695458
[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81248148
1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995308
2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarbothioamide
CID 114882512
2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline
CID 113392728
2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]benzoic acid
CID 121201742
N-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247593
1-[2-(bromomethyl)phenyl]-3-methoxypiperidine
CID 107085484
4-[2-(bromomethyl)phenyl]-3-ethylmorpholine
CID 107080607

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine?
The IUPAC name of 1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine (CID 107084258) is 1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine is CC(C)C1CCCN1c1ccccc1CBr.
What is the InChIKey of 1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine?
The InChIKey is KKEWLPRXXARGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-11(2)13-8-5-9-16(13)14-7-4-3-6-12(14)10-15/h3-4,6-7,11,13H,5,8-10H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine?
1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine has a molecular weight of 282.22 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 107084258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).