1-[[2-(aminomethyl)-6-bromophenoxy]methyl]cyclohexan-1-ol

C14H20BrNO2 — CID 65208540

IUPAC1-[[2-(aminomethyl)-6-bromophenoxy]methyl]cyclohexan-1-ol
SMILESNCc1cccc(Br)c1OCC1(O)CCCCC1
InChIInChI=1S/C14H20BrNO2/c15-12-6-4-5-11(9-16)13(12)18-10-14(17)7-2-1-3-8-14/h4-6,17H,1-3,7-10,16H2
InChIKeyCULUNGDBJVWIRN-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.98
Rot. Bonds4

About 1-[[2-(aminomethyl)-6-bromophenoxy]methyl]cyclohexan-1-ol

1-[[2-(aminomethyl)-6-bromophenoxy]methyl]cyclohexan-1-ol (PubChem CID 65208540) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-6-bromophenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-6-bromophenoxy]methyl]cyclohexan-1-ol
PubChem CID65208540
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-[[2-(aminomethyl)-6-bromophenoxy]methyl]cyclohexan-1-ol
SMILESNCc1cccc(Br)c1OCC1(O)CCCCC1
InChIInChI=1S/C14H20BrNO2/c15-12-6-4-5-11(9-16)13(12)18-10-14(17)7-2-1-3-8-14/h4-6,17H,1-3,7-10,16H2
InChIKeyCULUNGDBJVWIRN-UHFFFAOYSA-N
XLogP2.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol
CID 112607841
5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol
CID 62228230
1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene
CID 65008634
[3-bromo-2-(2-methylpropoxy)phenyl]methanamine
CID 61389777
[3-bromo-2-(2-methoxyethoxy)phenyl]methanamine
CID 61389790
(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
CID 71755622
(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 91799383
[3-bromo-2-(3-methylbut-3-enoxy)phenyl]methanamine
CID 114471527
2-[2-(aminomethyl)-6-bromophenoxy]-N-butylacetamide
CID 54956433
2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide
CID 61389859
(3-bromo-2-decoxyphenyl)methanamine
CID 63500475
[3-bromo-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936766

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-6-bromophenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-(aminomethyl)-6-bromophenoxy]methyl]cyclohexan-1-ol (CID 65208540) is 1-[[2-(aminomethyl)-6-bromophenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)-6-bromophenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-(aminomethyl)-6-bromophenoxy]methyl]cyclohexan-1-ol is NCc1cccc(Br)c1OCC1(O)CCCCC1.
What is the InChIKey of 1-[[2-(aminomethyl)-6-bromophenoxy]methyl]cyclohexan-1-ol?
The InChIKey is CULUNGDBJVWIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c15-12-6-4-5-11(9-16)13(12)18-10-14(17)7-2-1-3-8-14/h4-6,17H,1-3,7-10,16H2.
What are the key properties of 1-[[2-(aminomethyl)-6-bromophenoxy]methyl]cyclohexan-1-ol?
1-[[2-(aminomethyl)-6-bromophenoxy]methyl]cyclohexan-1-ol has a molecular weight of 314.22 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-6-bromophenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65208540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).