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

C14H21BrN2O2 — CID 63057512

IUPAC2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide
SMILESCC(C)CNCc1cc(Br)ccc1OC(C)C(N)=O
InChIInChI=1S/C14H21BrN2O2/c1-9(2)7-17-8-11-6-12(15)4-5-13(11)19-10(3)14(16)18/h4-6,9-10,17H,7-8H2,1-3H3,(H2,16,18)
InChIKeyAUCVOKISVXIDHP-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.45
Rot. Bonds7

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

2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide (PubChem CID 63057512) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide.

Molecular Properties

Compound Name2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide
PubChem CID63057512
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide
SMILESCC(C)CNCc1cc(Br)ccc1OC(C)C(N)=O
InChIInChI=1S/C14H21BrN2O2/c1-9(2)7-17-8-11-6-12(15)4-5-13(11)19-10(3)14(16)18/h4-6,9-10,17H,7-8H2,1-3H3,(H2,16,18)
InChIKeyAUCVOKISVXIDHP-UHFFFAOYSA-N
XLogP2.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63057352
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 43277599
methyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
CID 63327028
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 973105
(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
methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
CID 63062325
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 17053907
2-(2-amino-4-bromophenoxy)propanamide
CID 65429423
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-carbamoylpropanamide
CID 43277601
(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522971
methyl 2-[4-bromo-2-[(tert-butylamino)methyl]phenoxy]propanoate
CID 63055987

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide?
The IUPAC name of 2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide (CID 63057512) is 2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide.
What is the SMILES notation for 2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide?
The canonical SMILES for 2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide is CC(C)CNCc1cc(Br)ccc1OC(C)C(N)=O.
What is the InChIKey of 2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide?
The InChIKey is AUCVOKISVXIDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-9(2)7-17-8-11-6-12(15)4-5-13(11)19-10(3)14(16)18/h4-6,9-10,17H,7-8H2,1-3H3,(H2,16,18).
What are the key properties of 2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide?
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide has a molecular weight of 329.24 g/mol, XLogP of 2.45, 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-[(2-methylpropylamino)methyl]phenoxy]propanamide is sourced from PubChem (CID 63057512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).