[1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol

C15H22BrNO2 — CID 82857380

IUPAC[1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol
SMILESCOc1cc(Br)cc(NCC2(CO)CCCCC2)c1
InChIInChI=1S/C15H22BrNO2/c1-19-14-8-12(16)7-13(9-14)17-10-15(11-18)5-3-2-4-6-15/h7-9,17-18H,2-6,10-11H2,1H3
InChIKeyXUMALOFLRQZTKM-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.81
Rot. Bonds5

About [1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol

[1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol (PubChem CID 82857380) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is [1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol
PubChem CID82857380
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name[1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol
SMILESCOc1cc(Br)cc(NCC2(CO)CCCCC2)c1
InChIInChI=1S/C15H22BrNO2/c1-19-14-8-12(16)7-13(9-14)17-10-15(11-18)5-3-2-4-6-15/h7-9,17-18H,2-6,10-11H2,1H3
InChIKeyXUMALOFLRQZTKM-UHFFFAOYSA-N
XLogP3.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethoxyanilino)methyl]cycloheptan-1-ol
CID 60896943
[1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol
CID 107620978
[1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol
CID 103965437
methyl 2-(3-bromo-5-methoxyanilino)acetate
CID 82867874
2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide
CID 82867398
4-(3-bromo-5-methoxyanilino)butan-1-ol
CID 82868117
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-4-methoxybenzoic acid
CID 103968378
6-(3-bromo-5-methoxyanilino)hexan-1-ol
CID 113343359
5-(3-bromo-5-methoxyanilino)pentan-1-ol
CID 82868448
(Z)-4-(3-bromo-5-methoxyanilino)-2-methylbut-2-enoic acid
CID 103262053
[1-[(4,5-dimethoxy-2-methylanilino)methyl]cyclohexyl]methanol
CID 81401104
[1-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]cyclohexyl]methanol
CID 115924168

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol (CID 82857380) is [1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol is COc1cc(Br)cc(NCC2(CO)CCCCC2)c1.
What is the InChIKey of [1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol?
The InChIKey is XUMALOFLRQZTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-19-14-8-12(16)7-13(9-14)17-10-15(11-18)5-3-2-4-6-15/h7-9,17-18H,2-6,10-11H2,1H3.
What are the key properties of [1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol?
[1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol has a molecular weight of 328.25 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 82857380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).