2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide

C15H21BrN2O2 — CID 43277622

IUPAC2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide
SMILESCC(C)NCc1cc(Br)ccc1OCC(=O)NC1CC1
InChIInChI=1S/C15H21BrN2O2/c1-10(2)17-8-11-7-12(16)3-6-14(11)20-9-15(19)18-13-4-5-13/h3,6-7,10,13,17H,4-5,8-9H2,1-2H3,(H,18,19)
InChIKeyAQGROEOAIXKJGQ-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.60
Rot. Bonds7

About 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide

2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide (PubChem CID 43277622) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide
PubChem CID43277622
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide
SMILESCC(C)NCc1cc(Br)ccc1OCC(=O)NC1CC1
InChIInChI=1S/C15H21BrN2O2/c1-10(2)17-8-11-7-12(16)3-6-14(11)20-9-15(19)18-13-4-5-13/h3,6-7,10,13,17H,4-5,8-9H2,1-2H3,(H,18,19)
InChIKeyAQGROEOAIXKJGQ-UHFFFAOYSA-N
XLogP2.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277358
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
2-[4-bromo-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63098991
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide
CID 54931519
2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide
CID 107284188
N-[[5-bromo-2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-2-amine
CID 106436775
3-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
CID 62624298
2-(4-bromo-2-carbamothioylphenoxy)-N-cyclopropylacetamide
CID 83144814
2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
CID 65430153
2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide
CID 893611
2-[2-(2-aminopropyl)-4-methoxyphenoxy]-N-cyclopropylacetamide
CID 60906462
N-cyclopropyl-2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43515834

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide (CID 43277622) is 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide is CC(C)NCc1cc(Br)ccc1OCC(=O)NC1CC1.
What is the InChIKey of 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide?
The InChIKey is AQGROEOAIXKJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(2)17-8-11-7-12(16)3-6-14(11)20-9-15(19)18-13-4-5-13/h3,6-7,10,13,17H,4-5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide?
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide has a molecular weight of 341.25 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide is sourced from PubChem (CID 43277622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).