[1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol

C13H18BrNO — CID 115976164

IUPAC[1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol
SMILESCc1cc(C(C)NC2(CO)CC2)ccc1Br
InChIInChI=1S/C13H18BrNO/c1-9-7-11(3-4-12(9)14)10(2)15-13(8-16)5-6-13/h3-4,7,10,15-16H,5-6,8H2,1-2H3
InChIKeyLPMXPOSNYFQVEK-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.93
Rot. Bonds4

About [1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol

[1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol (PubChem CID 115976164) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is [1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol
PubChem CID115976164
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name[1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol
SMILESCc1cc(C(C)NC2(CO)CC2)ccc1Br
InChIInChI=1S/C13H18BrNO/c1-9-7-11(3-4-12(9)14)10(2)15-13(8-16)5-6-13/h3-4,7,10,15-16H,5-6,8H2,1-2H3
InChIKeyLPMXPOSNYFQVEK-UHFFFAOYSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[1-(4-bromo-3-fluorophenyl)ethylamino]cyclopropyl]methanol
CID 115929622
[1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol
CID 91660867
1-(4-bromo-3-methylphenyl)ethylhydrazine
CID 53402303
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
CID 115877703
(2R)-2-[1-(4-bromo-3-methylphenyl)ethylamino]butan-1-ol
CID 103949550
(3R)-3-[[[(1R)-1-(4-bromo-3-methylphenyl)ethyl]amino]methyl]oxolan-3-ol
CID 100679283
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide
CID 115902821
5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol
CID 110010765
[1-[1-(3-bromofuran-2-yl)ethylamino]cyclobutyl]methanol
CID 115927959
[1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol
CID 115929592
[4-[(4-bromo-3-methylphenyl)methylamino]oxan-4-yl]methanol
CID 71984686
2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol
CID 66481065

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol?
The IUPAC name of [1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol (CID 115976164) is [1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol.
What is the SMILES notation for [1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol?
The canonical SMILES for [1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol is Cc1cc(C(C)NC2(CO)CC2)ccc1Br.
What is the InChIKey of [1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol?
The InChIKey is LPMXPOSNYFQVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-7-11(3-4-12(9)14)10(2)15-13(8-16)5-6-13/h3-4,7,10,15-16H,5-6,8H2,1-2H3.
What are the key properties of [1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol?
[1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol has a molecular weight of 284.20 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol is sourced from PubChem (CID 115976164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).