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

C15H23BrN2O2 — CID 43277603

IUPAC2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide
SMILESCC(C)NCc1cc(Br)ccc1OC(C)C(=O)N(C)C
InChIInChI=1S/C15H23BrN2O2/c1-10(2)17-9-12-8-13(16)6-7-14(12)20-11(3)15(19)18(4)5/h6-8,10-11,17H,9H2,1-5H3
InChIKeyWETAVOMMTPRUFR-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.80
Rot. Bonds6

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

2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide (PubChem CID 43277603) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide
PubChem CID43277603
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide
SMILESCC(C)NCc1cc(Br)ccc1OC(C)C(=O)N(C)C
InChIInChI=1S/C15H23BrN2O2/c1-10(2)17-9-12-8-13(16)6-7-14(12)20-11(3)15(19)18(4)5/h6-8,10-11,17H,9H2,1-5H3
InChIKeyWETAVOMMTPRUFR-UHFFFAOYSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 43277599
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-carbamoylpropanamide
CID 43277601
2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 43276278
3-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
CID 62624298
N-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
CID 43277624
N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 2992441
2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 43472036
2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide
CID 43125653
2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide
CID 107696657
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63057512
2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 43232569

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide (CID 43277603) is 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide is CC(C)NCc1cc(Br)ccc1OC(C)C(=O)N(C)C.
What is the InChIKey of 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
The InChIKey is WETAVOMMTPRUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-10(2)17-9-12-8-13(16)6-7-14(12)20-11(3)15(19)18(4)5/h6-8,10-11,17H,9H2,1-5H3.
What are the key properties of 2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide has a molecular weight of 343.27 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 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,N-dimethylpropanamide is sourced from PubChem (CID 43277603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).