2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine

C17H26BrN — CID 112747898

IUPAC2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
SMILESCC(Br)CC1CCCN1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H26BrN/c1-13(2)16-8-6-15(7-9-16)12-19-10-4-5-17(19)11-14(3)18/h6-9,13-14,17H,4-5,10-12H2,1-3H3
InChIKeyUNYMMJRUKYYUIK-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.95
Rot. Bonds5

About 2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine

2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine (PubChem CID 112747898) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is 2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
PubChem CID112747898
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
SMILESCC(Br)CC1CCCN1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H26BrN/c1-13(2)16-8-6-15(7-9-16)12-19-10-4-5-17(19)11-14(3)18/h6-9,13-14,17H,4-5,10-12H2,1-3H3
InChIKeyUNYMMJRUKYYUIK-UHFFFAOYSA-N
XLogP4.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.95
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

N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581090
2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 55182780
2-(2-bromoethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 80671776
2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370725
2-methyl-N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 63528363
1-[(4-propan-2-ylphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 58659517
2-(2-bromopropyl)-1-ethylpyrrolidine
CID 130533962
[1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115524682
1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine
CID 83982520
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321888
2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
CID 80676168
1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine
CID 83982346

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine (CID 112747898) is 2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine is CC(Br)CC1CCCN1Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine?
The InChIKey is UNYMMJRUKYYUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-13(2)16-8-6-15(7-9-16)12-19-10-4-5-17(19)11-14(3)18/h6-9,13-14,17H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine?
2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine has a molecular weight of 324.31 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 112747898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).