2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol

C14H20BrNO2 — CID 103720652

IUPAC2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol
SMILESCCCC1CC1NCc1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C14H20BrNO2/c1-3-4-10-7-12(10)16-8-9-5-11(15)14(17)13(6-9)18-2/h5-6,10,12,16-17H,3-4,7-8H2,1-2H3
InChIKeyNXIREVWQEOGCAL-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.44
Rot. Bonds6

About 2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol

2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol (PubChem CID 103720652) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol
PubChem CID103720652
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol
SMILESCCCC1CC1NCc1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C14H20BrNO2/c1-3-4-10-7-12(10)16-8-9-5-11(15)14(17)13(6-9)18-2/h5-6,10,12,16-17H,3-4,7-8H2,1-2H3
InChIKeyNXIREVWQEOGCAL-UHFFFAOYSA-N
XLogP3.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 63455694
2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol
CID 43751145
2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol
CID 43609733
N-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
CID 115664685
N-[(2-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711434
2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol
CID 115673879
N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711594
2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol
CID 63726270
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851086
2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol
CID 83007367
2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol
CID 81394414
2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
CID 115671303

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol (CID 103720652) is 2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol is CCCC1CC1NCc1cc(Br)c(O)c(OC)c1.
What is the InChIKey of 2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol?
The InChIKey is NXIREVWQEOGCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-4-10-7-12(10)16-8-9-5-11(15)14(17)13(6-9)18-2/h5-6,10,12,16-17H,3-4,7-8H2,1-2H3.
What are the key properties of 2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol?
2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol has a molecular weight of 314.22 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol is sourced from PubChem (CID 103720652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).