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

C13H19BrN2O2 — CID 43277599

IUPAC2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
SMILESCC(C)NCc1cc(Br)ccc1OC(C)C(N)=O
InChIInChI=1S/C13H19BrN2O2/c1-8(2)16-7-10-6-11(14)4-5-12(10)18-9(3)13(15)17/h4-6,8-9,16H,7H2,1-3H3,(H2,15,17)
InChIKeyNIYMYRMAJDIPGA-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.20
Rot. Bonds6

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

2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide (PubChem CID 43277599) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide.

Molecular Properties

Compound Name2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
PubChem CID43277599
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
SMILESCC(C)NCc1cc(Br)ccc1OC(C)C(N)=O
InChIInChI=1S/C13H19BrN2O2/c1-8(2)16-7-10-6-11(14)4-5-12(10)18-9(3)13(15)17/h4-6,8-9,16H,7H2,1-3H3,(H2,15,17)
InChIKeyNIYMYRMAJDIPGA-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-carbamoylpropanamide
CID 43277601
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 43277603
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63057512
2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 43232569
2-(2-amino-4-bromophenoxy)propanamide
CID 65429423
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522971
methyl 2-[4-bromo-2-[(tert-butylamino)methyl]phenoxy]propanoate
CID 63055987
N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 2992441
3-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
CID 62624298
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenyl]sulfanylacetamide
CID 114231437
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63057352

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide?
The IUPAC name of 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide (CID 43277599) is 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide.
What is the SMILES notation for 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide?
The canonical SMILES for 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide is CC(C)NCc1cc(Br)ccc1OC(C)C(N)=O.
What is the InChIKey of 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide?
The InChIKey is NIYMYRMAJDIPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-8(2)16-7-10-6-11(14)4-5-12(10)18-9(3)13(15)17/h4-6,8-9,16H,7H2,1-3H3,(H2,15,17).
What are the key properties of 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide?
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide has a molecular weight of 315.21 g/mol, XLogP of 2.20, 6 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]propanamide is sourced from PubChem (CID 43277599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).