(4-bromophenyl)methyl 2-(1-aminocyclohexyl)acetate

C15H20BrNO2 — CID 82823923

IUPAC(4-bromophenyl)methyl 2-(1-aminocyclohexyl)acetate
SMILESNC1(CC(=O)OCc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C15H20BrNO2/c16-13-6-4-12(5-7-13)11-19-14(18)10-15(17)8-2-1-3-9-15/h4-7H,1-3,8-11,17H2
InChIKeyHKJLWUBSDYWCFY-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.54
Rot. Bonds4

About (4-bromophenyl)methyl 2-(1-aminocyclohexyl)acetate

(4-bromophenyl)methyl 2-(1-aminocyclohexyl)acetate (PubChem CID 82823923) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (4-bromophenyl)methyl 2-(1-aminocyclohexyl)acetate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 2-(1-aminocyclohexyl)acetate
PubChem CID82823923
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(4-bromophenyl)methyl 2-(1-aminocyclohexyl)acetate
SMILESNC1(CC(=O)OCc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C15H20BrNO2/c16-13-6-4-12(5-7-13)11-19-14(18)10-15(17)8-2-1-3-9-15/h4-7H,1-3,8-11,17H2
InChIKeyHKJLWUBSDYWCFY-UHFFFAOYSA-N
XLogP3.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate
CID 64701200
1-[(4-bromophenyl)methyl]cyclooctan-1-amine
CID 80603993
bis[(4-bromophenyl)methyl] butanedioate
CID 91729053
(3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate
CID 65127171
1-[(4-bromophenyl)methyl]cyclopentan-1-amine
CID 60798345
2-(1-aminocyclopentyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 64683694
(4-bromophenyl)methyl hydrogen carbonate
CID 21123816
methyl 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]acetate
CID 103272838
benzyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240649
[4-[(1-hydroxycyclohexanecarbonyl)oxymethyl]phenyl]methyl 1-hydroxycyclohexane-1-carboxylate
CID 46574800
(4-bromophenyl)methyl 2-ethylpyrrolidine-2-carboxylate
CID 83071204
[1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine
CID 82832273

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 2-(1-aminocyclohexyl)acetate?
The IUPAC name of (4-bromophenyl)methyl 2-(1-aminocyclohexyl)acetate (CID 82823923) is (4-bromophenyl)methyl 2-(1-aminocyclohexyl)acetate.
What is the SMILES notation for (4-bromophenyl)methyl 2-(1-aminocyclohexyl)acetate?
The canonical SMILES for (4-bromophenyl)methyl 2-(1-aminocyclohexyl)acetate is NC1(CC(=O)OCc2ccc(Br)cc2)CCCCC1.
What is the InChIKey of (4-bromophenyl)methyl 2-(1-aminocyclohexyl)acetate?
The InChIKey is HKJLWUBSDYWCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c16-13-6-4-12(5-7-13)11-19-14(18)10-15(17)8-2-1-3-9-15/h4-7H,1-3,8-11,17H2.
What are the key properties of (4-bromophenyl)methyl 2-(1-aminocyclohexyl)acetate?
(4-bromophenyl)methyl 2-(1-aminocyclohexyl)acetate has a molecular weight of 326.23 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 2-(1-aminocyclohexyl)acetate is sourced from PubChem (CID 82823923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).