2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol

C12H15BrClNO — CID 66159586

IUPAC2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol
SMILESOC(CNCc1cc(Cl)ccc1Br)C1CC1
InChIInChI=1S/C12H15BrClNO/c13-11-4-3-10(14)5-9(11)6-15-7-12(16)8-1-2-8/h3-5,8,12,15-16H,1-2,6-7H2
InChIKeyUCJWSJHVGYXXED-UHFFFAOYSA-N
MW304.62 g/mol
LogP2.96
Rot. Bonds5

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

2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol (PubChem CID 66159586) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is 2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol
PubChem CID66159586
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC Name2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol
SMILESOC(CNCc1cc(Cl)ccc1Br)C1CC1
InChIInChI=1S/C12H15BrClNO/c13-11-4-3-10(14)5-9(11)6-15-7-12(16)8-1-2-8/h3-5,8,12,15-16H,1-2,6-7H2
InChIKeyUCJWSJHVGYXXED-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-4-chlorophenyl)methylamino]-1-cyclopropylethanol
CID 81499030
(2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol
CID 165476502
2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]-1-cyclopropylethanol
CID 63295167
2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol
CID 115556791
1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol
CID 115660111
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 65029881
2-[[(2-bromo-5-chlorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 66156894
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992
2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol
CID 114452879
N-[(2-bromo-5-chlorophenyl)methyl]thiolan-3-amine
CID 103707744
1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 66159282

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol?
The IUPAC name of 2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol (CID 66159586) is 2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol is OC(CNCc1cc(Cl)ccc1Br)C1CC1.
What is the InChIKey of 2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol?
The InChIKey is UCJWSJHVGYXXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c13-11-4-3-10(14)5-9(11)6-15-7-12(16)8-1-2-8/h3-5,8,12,15-16H,1-2,6-7H2.
What are the key properties of 2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol?
2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol has a molecular weight of 304.62 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol is sourced from PubChem (CID 66159586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).