2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol

C13H18BrNO — CID 115556791

IUPAC2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol
SMILESCc1ccc(CNCC(O)C2CC2)c(Br)c1
InChIInChI=1S/C13H18BrNO/c1-9-2-3-11(12(14)6-9)7-15-8-13(16)10-4-5-10/h2-3,6,10,13,15-16H,4-5,7-8H2,1H3
InChIKeyBFKPSNGVZQMCAD-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.62
Rot. Bonds5

About 2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol

2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol (PubChem CID 115556791) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol
PubChem CID115556791
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol
SMILESCc1ccc(CNCC(O)C2CC2)c(Br)c1
InChIInChI=1S/C13H18BrNO/c1-9-2-3-11(12(14)6-9)7-15-8-13(16)10-4-5-10/h2-3,6,10,13,15-16H,4-5,7-8H2,1H3
InChIKeyBFKPSNGVZQMCAD-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-Bromobenzyl)amino]ethanol
CID 2215605
2-{[(3-Bromophenyl)methyl]amino}ethan-1-ol hydrochloride
CID 2960455
1-[4-[[(3-Bromophenyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53554387
1-(6-Bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-(methylamino)propan-2-ol
CID 155542694
2-{[(5-Bromo-2-fluorophenyl)methyl]amino}ethan-1-ol
CID 43085235
2-[(4-Bromobenzyl)amino]-1-butanol hydrochloride
CID 6458793
1-[4-[[(2-Bromophenyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53555288
2-{[(4-Bromophenyl)methyl]amino}butan-1-ol
CID 4715988
2-{[(2-Bromophenyl)methyl]amino}ethan-1-ol hydrochloride
CID 131858844
2-[[(3-Bromophenyl)methyl]amino]-4-methylpentan-1-ol
CID 6424602
2-[(4-Bromobenzyl)amino]-2-methyl-1-propanol
CID 834068
3-[(2-Bromobenzyl)amino]-1,1,1-trifluoro-2-propanol
CID 3758822

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol?
The IUPAC name of 2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol (CID 115556791) is 2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol is Cc1ccc(CNCC(O)C2CC2)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol?
The InChIKey is BFKPSNGVZQMCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-2-3-11(12(14)6-9)7-15-8-13(16)10-4-5-10/h2-3,6,10,13,15-16H,4-5,7-8H2,1H3.
What are the key properties of 2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol?
2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol has a molecular weight of 284.20 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol is sourced from PubChem (CID 115556791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).