1-[(2-bromo-5-chloroanilino)methyl]cyclohexan-1-ol

C13H17BrClNO — CID 81280448

IUPAC1-[(2-bromo-5-chloroanilino)methyl]cyclohexan-1-ol
SMILESOC1(CNc2cc(Cl)ccc2Br)CCCCC1
InChIInChI=1S/C13H17BrClNO/c14-11-5-4-10(15)8-12(11)16-9-13(17)6-2-1-3-7-13/h4-5,8,16-17H,1-3,6-7,9H2
InChIKeyMNRRURRBFAQEHA-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.21
Rot. Bonds3

About 1-[(2-bromo-5-chloroanilino)methyl]cyclohexan-1-ol

1-[(2-bromo-5-chloroanilino)methyl]cyclohexan-1-ol (PubChem CID 81280448) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 1-[(2-bromo-5-chloroanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-bromo-5-chloroanilino)methyl]cyclohexan-1-ol
PubChem CID81280448
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name1-[(2-bromo-5-chloroanilino)methyl]cyclohexan-1-ol
SMILESOC1(CNc2cc(Cl)ccc2Br)CCCCC1
InChIInChI=1S/C13H17BrClNO/c14-11-5-4-10(15)8-12(11)16-9-13(17)6-2-1-3-7-13/h4-5,8,16-17H,1-3,6-7,9H2
InChIKeyMNRRURRBFAQEHA-UHFFFAOYSA-N
XLogP4.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-4-chloroanilino)methyl]cyclohexan-1-ol
CID 81270602
4-chloro-2-[(1-hydroxycyclobutyl)methylamino]benzonitrile
CID 115669087
2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103712029
1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol
CID 65102596
1-[(4-amino-2-chloroanilino)methyl]cycloheptan-1-ol
CID 65123434
2-bromo-5-chloro-N-[(3-methyloxetan-3-yl)methyl]aniline
CID 81280438
1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 114835960
1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936278
1-[(3-chloroanilino)methyl]cyclobutan-1-ol
CID 131701731
3-chloro-4-[(1-hydroxycyclohexyl)methylamino]benzonitrile
CID 65110580
1-[(2,3-difluoroanilino)methyl]cyclohexan-1-ol
CID 61077001
1-[(4-bromo-2,6-difluoroanilino)methyl]cycloheptan-1-ol
CID 65469763

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-chloroanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2-bromo-5-chloroanilino)methyl]cyclohexan-1-ol (CID 81280448) is 1-[(2-bromo-5-chloroanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-bromo-5-chloroanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2-bromo-5-chloroanilino)methyl]cyclohexan-1-ol is OC1(CNc2cc(Cl)ccc2Br)CCCCC1.
What is the InChIKey of 1-[(2-bromo-5-chloroanilino)methyl]cyclohexan-1-ol?
The InChIKey is MNRRURRBFAQEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c14-11-5-4-10(15)8-12(11)16-9-13(17)6-2-1-3-7-13/h4-5,8,16-17H,1-3,6-7,9H2.
What are the key properties of 1-[(2-bromo-5-chloroanilino)methyl]cyclohexan-1-ol?
1-[(2-bromo-5-chloroanilino)methyl]cyclohexan-1-ol has a molecular weight of 318.64 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-chloroanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 81280448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).