N-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide

C14H21BrN2O2 — CID 75471098

IUPACN-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCN(C)Cc1cc(O)ccc1Br
InChIInChI=1S/C14H21BrN2O2/c1-10(2)14(19)16-6-7-17(3)9-11-8-12(18)4-5-13(11)15/h4-5,8,10,18H,6-7,9H2,1-3H3,(H,16,19)
InChIKeyNUYGXPKLJJPVLU-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.36
Rot. Bonds6

About N-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide

N-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide (PubChem CID 75471098) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide
PubChem CID75471098
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC NameN-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCN(C)Cc1cc(O)ccc1Br
InChIInChI=1S/C14H21BrN2O2/c1-10(2)14(19)16-6-7-17(3)9-11-8-12(18)4-5-13(11)15/h4-5,8,10,18H,6-7,9H2,1-3H3,(H,16,19)
InChIKeyNUYGXPKLJJPVLU-UHFFFAOYSA-N
XLogP2.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82981104
3-[[bis(3-methylbutyl)amino]methyl]-4-bromophenol
CID 107871875
N'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 113409096
4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol
CID 82982203
4-bromo-3-[[propan-2-yl(propyl)amino]methyl]phenol
CID 82977711
2-(2-bromo-5-hydroxyphenyl)acetic acid
CID 57257821
2-[(2-bromo-5-hydroxyphenyl)methyl-propylamino]acetic acid
CID 122040276
2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide
CID 115741782
4-bromo-3-(2-hydroxypropyl)phenol
CID 117333494
N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide
CID 113062718
N-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine
CID 114369376
2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 80957927

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide (CID 75471098) is N-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCN(C)Cc1cc(O)ccc1Br.
What is the InChIKey of N-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide?
The InChIKey is NUYGXPKLJJPVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-10(2)14(19)16-6-7-17(3)9-11-8-12(18)4-5-13(11)15/h4-5,8,10,18H,6-7,9H2,1-3H3,(H,16,19).
What are the key properties of N-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide?
N-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide has a molecular weight of 329.24 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 75471098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).