1-[(4-bromophenyl)-phenylmethyl]pyrrolidine

C17H18BrN — CID 53217465

IUPAC1-[(4-bromophenyl)-phenylmethyl]pyrrolidine
SMILESBrc1ccc(C(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C17H18BrN/c18-16-10-8-15(9-11-16)17(19-12-4-5-13-19)14-6-2-1-3-7-14/h1-3,6-11,17H,4-5,12-13H2
InChIKeyDFLJXKKHZUELSW-UHFFFAOYSA-N
MW316.24 g/mol
LogP4.63
Rot. Bonds3

About 1-[(4-bromophenyl)-phenylmethyl]pyrrolidine

1-[(4-bromophenyl)-phenylmethyl]pyrrolidine (PubChem CID 53217465) has the molecular formula C17H18BrN and a molecular weight of 316.24 g/mol. Its IUPAC name is 1-[(4-bromophenyl)-phenylmethyl]pyrrolidine.

Molecular Properties

Compound Name1-[(4-bromophenyl)-phenylmethyl]pyrrolidine
PubChem CID53217465
Molecular FormulaC17H18BrN
Molecular Weight316.24 g/mol
Exact Mass315.06
IUPAC Name1-[(4-bromophenyl)-phenylmethyl]pyrrolidine
SMILESBrc1ccc(C(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C17H18BrN/c18-16-10-8-15(9-11-16)17(19-12-4-5-13-19)14-6-2-1-3-7-14/h1-3,6-11,17H,4-5,12-13H2
InChIKeyDFLJXKKHZUELSW-UHFFFAOYSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[bis(4-bromophenyl)methyl]-1,4-diazepane
CID 3760339
[4-[(R)-phenyl(pyrrolidin-1-yl)methyl]phenyl]boronic acid
CID 99774751
(1S)-2-(4-benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
CID 28746869
2-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]acetic acid;dihydrochloride
CID 68930763
1-[(4-bromophenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane
CID 3745740
1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone
CID 92768650
1-[(3-bromophenyl)-phenylmethyl]-1,4-diazepane
CID 3457794
1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-1,4-diazepane
CID 3736535
(2R)-1-[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 92769934
1-[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 92760743
1-[1-(4-bromophenyl)ethyl]pyrrolidine
CID 12738008
1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine
CID 140569426

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)-phenylmethyl]pyrrolidine?
The IUPAC name of 1-[(4-bromophenyl)-phenylmethyl]pyrrolidine (CID 53217465) is 1-[(4-bromophenyl)-phenylmethyl]pyrrolidine.
What is the SMILES notation for 1-[(4-bromophenyl)-phenylmethyl]pyrrolidine?
The canonical SMILES for 1-[(4-bromophenyl)-phenylmethyl]pyrrolidine is Brc1ccc(C(c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)-phenylmethyl]pyrrolidine?
The InChIKey is DFLJXKKHZUELSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN/c18-16-10-8-15(9-11-16)17(19-12-4-5-13-19)14-6-2-1-3-7-14/h1-3,6-11,17H,4-5,12-13H2.
What are the key properties of 1-[(4-bromophenyl)-phenylmethyl]pyrrolidine?
1-[(4-bromophenyl)-phenylmethyl]pyrrolidine has a molecular weight of 316.24 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)-phenylmethyl]pyrrolidine is sourced from PubChem (CID 53217465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).