[4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol

C13H18BrNO — CID 43569351

IUPAC[4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol
SMILESCC(C1CC1)N(C)c1cc(Br)ccc1CO
InChIInChI=1S/C13H18BrNO/c1-9(10-3-4-10)15(2)13-7-12(14)6-5-11(13)8-16/h5-7,9-10,16H,3-4,8H2,1-2H3
InChIKeyRBOKRKIYYYZVFN-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.18
Rot. Bonds4

About [4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol

[4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol (PubChem CID 43569351) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is [4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol
PubChem CID43569351
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name[4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol
SMILESCC(C1CC1)N(C)c1cc(Br)ccc1CO
InChIInChI=1S/C13H18BrNO/c1-9(10-3-4-10)15(2)13-7-12(14)6-5-11(13)8-16/h5-7,9-10,16H,3-4,8H2,1-2H3
InChIKeyRBOKRKIYYYZVFN-UHFFFAOYSA-N
XLogP3.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine
CID 43568860
[3-[1-cyclopropylethyl(methyl)amino]-4-pyridinyl]methanol
CID 105066721
4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82972503
[4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
CID 63273878
[4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
CID 61415453
[4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol
CID 61445229
[4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol
CID 79319074
[4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
CID 79483470
2-[5-bromo-2-(hydroxymethyl)-N-methylanilino]-N,N-dimethylacetamide
CID 43375136
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 63553054
1-[5-bromo-2-(hydroxymethyl)-N-methylanilino]-3-methoxypropan-2-ol
CID 54994295
4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline
CID 107080392

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol?
The IUPAC name of [4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol (CID 43569351) is [4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol.
What is the SMILES notation for [4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol?
The canonical SMILES for [4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol is CC(C1CC1)N(C)c1cc(Br)ccc1CO.
What is the InChIKey of [4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol?
The InChIKey is RBOKRKIYYYZVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(10-3-4-10)15(2)13-7-12(14)6-5-11(13)8-16/h5-7,9-10,16H,3-4,8H2,1-2H3.
What are the key properties of [4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol?
[4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol has a molecular weight of 284.20 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol is sourced from PubChem (CID 43569351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).