2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol

C14H20BrNO2 — CID 111858636

IUPAC2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
SMILESCN(CC(O)c1ccc(Br)cc1)CC(O)C1CC1
InChIInChI=1S/C14H20BrNO2/c1-16(8-13(17)10-2-3-10)9-14(18)11-4-6-12(15)7-5-11/h4-7,10,13-14,17-18H,2-3,8-9H2,1H3
InChIKeyGCILKEJNXJJVFN-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.19
Rot. Bonds6

About 2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol

2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol (PubChem CID 111858636) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
PubChem CID111858636
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
SMILESCN(CC(O)c1ccc(Br)cc1)CC(O)C1CC1
InChIInChI=1S/C14H20BrNO2/c1-16(8-13(17)10-2-3-10)9-14(18)11-4-6-12(15)7-5-11/h4-7,10,13-14,17-18H,2-3,8-9H2,1H3
InChIKeyGCILKEJNXJJVFN-UHFFFAOYSA-N
XLogP2.19
TPSA43.70 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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol
CID 111858683
1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol
CID 111858572
1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol
CID 110935898
1-(4-bromophenyl)-2-[methyl-(1-oxothian-4-yl)amino]ethanol
CID 111858398
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol
CID 111858724
1-cyclopropyl-2-[methyl(2-methylpropyl)amino]ethanol
CID 63906984
2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
CID 111858860
(1R)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 97004833
(1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 97004834
2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949329
(4-bromophenyl)-(1-methylpiperidin-4-yl)methanol
CID 58042206
2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol
CID 111858655

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol?
The IUPAC name of 2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol (CID 111858636) is 2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol?
The canonical SMILES for 2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol is CN(CC(O)c1ccc(Br)cc1)CC(O)C1CC1.
What is the InChIKey of 2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol?
The InChIKey is GCILKEJNXJJVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-16(8-13(17)10-2-3-10)9-14(18)11-4-6-12(15)7-5-11/h4-7,10,13-14,17-18H,2-3,8-9H2,1H3.
What are the key properties of 2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol?
2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol has a molecular weight of 314.22 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol is sourced from PubChem (CID 111858636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).