4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol

C14H20BrNO — CID 106594315

IUPAC4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol
SMILESCc1cc(Br)cc(C)c1NC1CCC(O)CC1
InChIInChI=1S/C14H20BrNO/c1-9-7-11(15)8-10(2)14(9)16-12-3-5-13(17)6-4-12/h7-8,12-13,16-17H,3-6H2,1-2H3
InChIKeyWMNGMWKLCBLKQA-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.78
Rot. Bonds2

About 4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol

4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol (PubChem CID 106594315) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol
PubChem CID106594315
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol
SMILESCc1cc(Br)cc(C)c1NC1CCC(O)CC1
InChIInChI=1S/C14H20BrNO/c1-9-7-11(15)8-10(2)14(9)16-12-3-5-13(17)6-4-12/h7-8,12-13,16-17H,3-6H2,1-2H3
InChIKeyWMNGMWKLCBLKQA-UHFFFAOYSA-N
XLogP3.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2,6-dimethylanilino)cycloheptan-1-ol
CID 63489177
4-bromo-2,6-dichloro-N-cyclopropylaniline
CID 103438876
4-(2-amino-6-methylanilino)cyclohexan-1-ol
CID 104966691
tert-butyl 3-(4-bromo-2,6-dimethylanilino)azetidine-1-carboxylate
CID 63449195
5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide
CID 43392103
N-(2,4,6-trimethylphenyl)cycloheptanamine
CID 63448201
4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol
CID 106593664
4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol
CID 106594504
4-(4-amino-2,6-difluoroanilino)cyclohexan-1-ol
CID 54902753
4-[(3-amino-5-bromo-4-pyridinyl)amino]cyclohexan-1-ol
CID 103517535
4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline
CID 63449328
4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 103915060

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol?
The IUPAC name of 4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol (CID 106594315) is 4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol is Cc1cc(Br)cc(C)c1NC1CCC(O)CC1.
What is the InChIKey of 4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol?
The InChIKey is WMNGMWKLCBLKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-9-7-11(15)8-10(2)14(9)16-12-3-5-13(17)6-4-12/h7-8,12-13,16-17H,3-6H2,1-2H3.
What are the key properties of 4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol?
4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol has a molecular weight of 298.22 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol is sourced from PubChem (CID 106594315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).