methyl 2-(cyclohexylmethylamino)benzoate

C15H21NO2 — CID 43087805

IUPACmethyl 2-(cyclohexylmethylamino)benzoate
SMILESCOC(=O)c1ccccc1NCC1CCCCC1
InChIInChI=1S/C15H21NO2/c1-18-15(17)13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3
InChIKeyIDSNKQMZJLWUJD-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.47
Rot. Bonds4

About methyl 2-(cyclohexylmethylamino)benzoate

methyl 2-(cyclohexylmethylamino)benzoate (PubChem CID 43087805) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 2-(cyclohexylmethylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(cyclohexylmethylamino)benzoate
PubChem CID43087805
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 2-(cyclohexylmethylamino)benzoate
SMILESCOC(=O)c1ccccc1NCC1CCCCC1
InChIInChI=1S/C15H21NO2/c1-18-15(17)13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3
InChIKeyIDSNKQMZJLWUJD-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopentylmethylamino)benzoate
CID 55030315
methyl 2-[[(2S)-oxetan-2-yl]methylamino]benzoate
CID 169084059
methyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate
CID 78820382
2-(cyclohexylmethylamino)benzenecarbothioamide
CID 43371658
methyl 2-[2-(oxan-3-yl)ethylamino]benzoate
CID 118058964
methyl 2-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942633
methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
CID 40706173
methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate
CID 2617358
tert-butyl N-[2-(cycloheptylmethylamino)phenyl]carbamate
CID 107240333
methyl 2-(2,2-dimethylpropylamino)benzoate
CID 61325547
methyl 2-(cyclopropylamino)benzoate
CID 83697867
methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112988416

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexylmethylamino)benzoate?
The IUPAC name of methyl 2-(cyclohexylmethylamino)benzoate (CID 43087805) is methyl 2-(cyclohexylmethylamino)benzoate.
What is the SMILES notation for methyl 2-(cyclohexylmethylamino)benzoate?
The canonical SMILES for methyl 2-(cyclohexylmethylamino)benzoate is COC(=O)c1ccccc1NCC1CCCCC1.
What is the InChIKey of methyl 2-(cyclohexylmethylamino)benzoate?
The InChIKey is IDSNKQMZJLWUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-15(17)13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3.
What are the key properties of methyl 2-(cyclohexylmethylamino)benzoate?
methyl 2-(cyclohexylmethylamino)benzoate has a molecular weight of 247.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexylmethylamino)benzoate is sourced from PubChem (CID 43087805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).