2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol

C14H20BrNO2 — CID 111858724

IUPAC2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol
SMILESCOc1ccc(Br)cc1CN(C)CC(O)C1CC1
InChIInChI=1S/C14H20BrNO2/c1-16(9-13(17)10-3-4-10)8-11-7-12(15)5-6-14(11)18-2/h5-7,10,13,17H,3-4,8-9H2,1-2H3
InChIKeySOLDTAVBVNMXPK-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.66
Rot. Bonds6

About 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol

2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol (PubChem CID 111858724) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol
PubChem CID111858724
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol
SMILESCOc1ccc(Br)cc1CN(C)CC(O)C1CC1
InChIInChI=1S/C14H20BrNO2/c1-16(9-13(17)10-3-4-10)8-11-7-12(15)5-6-14(11)18-2/h5-7,10,13,17H,3-4,8-9H2,1-2H3
InChIKeySOLDTAVBVNMXPK-UHFFFAOYSA-N
XLogP2.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol
CID 146043433
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine
CID 54971591
2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401347
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 115255077
1-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 46798100
1-(3-bromocyclobutyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanamine
CID 80691494
2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 60774401
2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
CID 111858636
N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
CID 43088568
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137594
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779325
1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol
CID 103169906

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol (CID 111858724) is 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol is COc1ccc(Br)cc1CN(C)CC(O)C1CC1.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol?
The InChIKey is SOLDTAVBVNMXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-16(9-13(17)10-3-4-10)8-11-7-12(15)5-6-14(11)18-2/h5-7,10,13,17H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol?
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol has a molecular weight of 314.22 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol is sourced from PubChem (CID 111858724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).