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

C15H22BrNO — CID 63489177

IUPAC2-(4-bromo-2,6-dimethylanilino)cycloheptan-1-ol
SMILESCc1cc(Br)cc(C)c1NC1CCCCCC1O
InChIInChI=1S/C15H22BrNO/c1-10-8-12(16)9-11(2)15(10)17-13-6-4-3-5-7-14(13)18/h8-9,13-14,17-18H,3-7H2,1-2H3
InChIKeyRISJBWLKSQZOEN-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.17
Rot. Bonds2

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

2-(4-bromo-2,6-dimethylanilino)cycloheptan-1-ol (PubChem CID 63489177) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylanilino)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylanilino)cycloheptan-1-ol
PubChem CID63489177
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-(4-bromo-2,6-dimethylanilino)cycloheptan-1-ol
SMILESCc1cc(Br)cc(C)c1NC1CCCCCC1O
InChIInChI=1S/C15H22BrNO/c1-10-8-12(16)9-11(2)15(10)17-13-6-4-3-5-7-14(13)18/h8-9,13-14,17-18H,3-7H2,1-2H3
InChIKeyRISJBWLKSQZOEN-UHFFFAOYSA-N
XLogP4.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4,6-tribromoanilino)cycloheptan-1-ol
CID 63489385
trans-(1R,2R)-2-(4-bromo-2,6-difluoroanilino)cyclohexan-1-ol
CID 102731340
(1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol
CID 143208834
4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline
CID 63449328
trans-(1R,2R)-2-(2,4,6-tribromoanilino)cyclopentan-1-ol
CID 102733064
2-(4-bromo-2-methylanilino)cyclopentan-1-ol
CID 60884392
4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol
CID 106594315
trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol
CID 102733136
2-(3,4-dimethylanilino)cycloheptan-1-ol
CID 60896994
2-(2-chloro-6-methylanilino)cycloheptan-1-ol
CID 66253473
2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol
CID 60898844
2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol
CID 104531921

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylanilino)cycloheptan-1-ol?
The IUPAC name of 2-(4-bromo-2,6-dimethylanilino)cycloheptan-1-ol (CID 63489177) is 2-(4-bromo-2,6-dimethylanilino)cycloheptan-1-ol.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylanilino)cycloheptan-1-ol?
The canonical SMILES for 2-(4-bromo-2,6-dimethylanilino)cycloheptan-1-ol is Cc1cc(Br)cc(C)c1NC1CCCCCC1O.
What is the InChIKey of 2-(4-bromo-2,6-dimethylanilino)cycloheptan-1-ol?
The InChIKey is RISJBWLKSQZOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10-8-12(16)9-11(2)15(10)17-13-6-4-3-5-7-14(13)18/h8-9,13-14,17-18H,3-7H2,1-2H3.
What are the key properties of 2-(4-bromo-2,6-dimethylanilino)cycloheptan-1-ol?
2-(4-bromo-2,6-dimethylanilino)cycloheptan-1-ol has a molecular weight of 312.25 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylanilino)cycloheptan-1-ol is sourced from PubChem (CID 63489177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).