4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide

C14H21BrN2O2 — CID 115155486

IUPAC4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide
SMILESCOc1ccc(Br)cc1CCN(C)C(=O)CCCN
InChIInChI=1S/C14H21BrN2O2/c1-17(14(18)4-3-8-16)9-7-11-10-12(15)5-6-13(11)19-2/h5-6,10H,3-4,7-9,16H2,1-2H3
InChIKeyVMPPPIOHDRSOJN-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.20
Rot. Bonds7

About 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide

4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide (PubChem CID 115155486) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide
PubChem CID115155486
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide
SMILESCOc1ccc(Br)cc1CCN(C)C(=O)CCCN
InChIInChI=1S/C14H21BrN2O2/c1-17(14(18)4-3-8-16)9-7-11-10-12(15)5-6-13(11)19-2/h5-6,10H,3-4,7-9,16H2,1-2H3
InChIKeyVMPPPIOHDRSOJN-UHFFFAOYSA-N
XLogP2.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutanamide
CID 115155476
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-hydroxy-N-methylpropanamide
CID 115139416
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201513
3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 94694459
6-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-6-oxohexanoic acid
CID 60954211
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine
CID 115226195
2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide
CID 115260219
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279
4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 115155352
4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide
CID 21468763

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide?
The IUPAC name of 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide (CID 115155486) is 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide?
The canonical SMILES for 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide is COc1ccc(Br)cc1CCN(C)C(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide?
The InChIKey is VMPPPIOHDRSOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-17(14(18)4-3-8-16)9-7-11-10-12(15)5-6-13(11)19-2/h5-6,10H,3-4,7-9,16H2,1-2H3.
What are the key properties of 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide?
4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide has a molecular weight of 329.24 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 115155486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).