2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol

C15H25BrN2O — CID 63047104

IUPAC2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol
SMILESCC(C)CC(CN(C)C)NCc1ccc(O)c(Br)c1
InChIInChI=1S/C15H25BrN2O/c1-11(2)7-13(10-18(3)4)17-9-12-5-6-15(19)14(16)8-12/h5-6,8,11,13,17,19H,7,9-10H2,1-4H3
InChIKeyGOFBBYGMHCJBOB-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.22
Rot. Bonds7

About 2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol

2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol (PubChem CID 63047104) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol
PubChem CID63047104
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol
SMILESCC(C)CC(CN(C)C)NCc1ccc(O)c(Br)c1
InChIInChI=1S/C15H25BrN2O/c1-11(2)7-13(10-18(3)4)17-9-12-5-6-15(19)14(16)8-12/h5-6,8,11,13,17,19H,7,9-10H2,1-4H3
InChIKeyGOFBBYGMHCJBOB-UHFFFAOYSA-N
XLogP3.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol with MolForge

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Related Compounds

2-N-[(3-fluoro-4-methylphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 63646229
2-bromo-4-[(1-hydroxybutan-2-ylamino)methyl]phenol
CID 60657425
2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 43751604
2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol
CID 114985567
2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol
CID 43751533
1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine
CID 43792387
2-[(3-bromo-4-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 61246252
2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol
CID 82977021
2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 81351567
2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 81353451
2-bromo-4-(2-methylpropyl)phenol;hydrobromide
CID 162312266
methyl (2S)-2-[(3-bromo-4-hydroxyphenyl)methylamino]-3-methylbutanoate
CID 55145808

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol (CID 63047104) is 2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol is CC(C)CC(CN(C)C)NCc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol?
The InChIKey is GOFBBYGMHCJBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-11(2)7-13(10-18(3)4)17-9-12-5-6-15(19)14(16)8-12/h5-6,8,11,13,17,19H,7,9-10H2,1-4H3.
What are the key properties of 2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol?
2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol has a molecular weight of 329.28 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol is sourced from PubChem (CID 63047104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).