methyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate

C16H24N2O2 — CID 63423207

IUPACmethyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate
SMILESCOC(=O)c1cc(N(C)CC2CCCCC2)ccc1N
InChIInChI=1S/C16H24N2O2/c1-18(11-12-6-4-3-5-7-12)13-8-9-15(17)14(10-13)16(19)20-2/h8-10,12H,3-7,11,17H2,1-2H3
InChIKeyYZPDJINKKPXWPK-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.07
Rot. Bonds4

About methyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate

methyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate (PubChem CID 63423207) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate
PubChem CID63423207
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate
SMILESCOC(=O)c1cc(N(C)CC2CCCCC2)ccc1N
InChIInChI=1S/C16H24N2O2/c1-18(11-12-6-4-3-5-7-12)13-8-9-15(17)14(10-13)16(19)20-2/h8-10,12H,3-7,11,17H2,1-2H3
InChIKeyYZPDJINKKPXWPK-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 113419748
methyl 3-amino-4-[cyclopentylmethyl(methyl)amino]benzoate
CID 55250036
ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate
CID 61305640
methyl 2-amino-5-(cycloheptylamino)benzoate
CID 61305877
methyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate
CID 114195070
methyl 2-amino-5-[(3-bromophenyl)methyl-methylamino]benzoate
CID 63423524
methyl 2-amino-5-cyclobutylbenzoate
CID 107367727
2-amino-5-[cycloheptyl(methyl)amino]benzamide
CID 61305211
methyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate
CID 63423395
2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
CID 79313258
methyl 4-bromo-2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzoate
CID 166637634
methyl 4-amino-2-[cyclobutylmethyl(methyl)sulfamoyl]benzoate
CID 102931206

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate?
The IUPAC name of methyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate (CID 63423207) is methyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate.
What is the SMILES notation for methyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate?
The canonical SMILES for methyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate is COC(=O)c1cc(N(C)CC2CCCCC2)ccc1N.
What is the InChIKey of methyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate?
The InChIKey is YZPDJINKKPXWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(11-12-6-4-3-5-7-12)13-8-9-15(17)14(10-13)16(19)20-2/h8-10,12H,3-7,11,17H2,1-2H3.
What are the key properties of methyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate?
methyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate has a molecular weight of 276.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate is sourced from PubChem (CID 63423207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).