(5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone

C14H18BrNO — CID 65309657

IUPAC(5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)c1cc(Br)ccc1C
InChIInChI=1S/C14H18BrNO/c1-3-12-5-4-8-16(12)14(17)13-9-11(15)7-6-10(13)2/h6-7,9,12H,3-5,8H2,1-2H3
InChIKeyRPXMKXCCYGOQFR-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.77
Rot. Bonds2

About (5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone

(5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone (PubChem CID 65309657) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
PubChem CID65309657
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name(5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)c1cc(Br)ccc1C
InChIInChI=1S/C14H18BrNO/c1-3-12-5-4-8-16(12)14(17)13-9-11(15)7-6-10(13)2/h6-7,9,12H,3-5,8H2,1-2H3
InChIKeyRPXMKXCCYGOQFR-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(5-bromo-2-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79548881
(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 113441714
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637
(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65309438
[2-(bromomethyl)pyrrolidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 80677690
(3-bromo-4-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 79458333
(5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 65309174
(5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 65308017
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
3-[3-(2-ethylpyrrolidine-1-carbonyl)-4-methylphenyl]prop-2-enoic acid
CID 77064837
[2-(bromomethyl)pyrrolidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 80677688
2-[1-(4-bromo-2-methylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370883

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone (CID 65309657) is (5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone is CCC1CCCN1C(=O)c1cc(Br)ccc1C.
What is the InChIKey of (5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone?
The InChIKey is RPXMKXCCYGOQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-3-12-5-4-8-16(12)14(17)13-9-11(15)7-6-10(13)2/h6-7,9,12H,3-5,8H2,1-2H3.
What are the key properties of (5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone?
(5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone has a molecular weight of 296.21 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 65309657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).