2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide

C15H23BrN2O2 — CID 63057352

IUPAC2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide
SMILESCCC(Oc1ccc(Br)cc1CNCC(C)C)C(N)=O
InChIInChI=1S/C15H23BrN2O2/c1-4-13(15(17)19)20-14-6-5-12(16)7-11(14)9-18-8-10(2)3/h5-7,10,13,18H,4,8-9H2,1-3H3,(H2,17,19)
InChIKeyYJMKTARVOCLGGF-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.84
Rot. Bonds8

About 2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide

2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide (PubChem CID 63057352) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide.

Molecular Properties

Compound Name2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide
PubChem CID63057352
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide
SMILESCCC(Oc1ccc(Br)cc1CNCC(C)C)C(N)=O
InChIInChI=1S/C15H23BrN2O2/c1-4-13(15(17)19)20-14-6-5-12(16)7-11(14)9-18-8-10(2)3/h5-7,10,13,18H,4,8-9H2,1-3H3,(H2,17,19)
InChIKeyYJMKTARVOCLGGF-UHFFFAOYSA-N
XLogP2.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63057512
2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63063899
2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide
CID 107695506
2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide
CID 62900256
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 973105
2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide
CID 107695830
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]butanamide
CID 78937476
2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63057775
(2R)-1-[(5-bromo-2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51996904
2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053771
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 43277599
2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 62899630

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide?
The IUPAC name of 2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide (CID 63057352) is 2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide.
What is the SMILES notation for 2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide?
The canonical SMILES for 2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide is CCC(Oc1ccc(Br)cc1CNCC(C)C)C(N)=O.
What is the InChIKey of 2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide?
The InChIKey is YJMKTARVOCLGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-4-13(15(17)19)20-14-6-5-12(16)7-11(14)9-18-8-10(2)3/h5-7,10,13,18H,4,8-9H2,1-3H3,(H2,17,19).
What are the key properties of 2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide?
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide has a molecular weight of 343.27 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide is sourced from PubChem (CID 63057352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).