methyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate

C15H21NO3 — CID 117029658

IUPACmethyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C1CCC(O)CC1
InChIInChI=1S/C15H21NO3/c1-16(11-7-9-12(17)10-8-11)14-6-4-3-5-13(14)15(18)19-2/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyLFDNHFAHCGIAEU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.21
Rot. Bonds3

About methyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate

methyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate (PubChem CID 117029658) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate
PubChem CID117029658
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C1CCC(O)CC1
InChIInChI=1S/C15H21NO3/c1-16(11-7-9-12(17)10-8-11)14-6-4-3-5-13(14)15(18)19-2/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyLFDNHFAHCGIAEU-UHFFFAOYSA-N
XLogP2.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62700811
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CID 62026931
4-[methyl(naphthalen-1-yl)amino]cyclohexan-1-ol
CID 115149474
1-[2-[cyclohexyl(methyl)amino]phenyl]ethanone
CID 43176964
methyl 2-[2-hydroxybutyl(methyl)amino]benzoate
CID 62028637
N-cyclohexyl-2-[cyclopropyl(methyl)amino]-N-methylbenzamide
CID 174458205
methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate
CID 43409538
methyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate
CID 61060789
methyl 2-[methyl(oxan-4-yl)amino]-5-(trifluoromethyl)benzoate
CID 141413028
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[2-bromopropanoyl(methyl)amino]benzoate
CID 11392410

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate?
The IUPAC name of methyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate (CID 117029658) is methyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate.
What is the SMILES notation for methyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate?
The canonical SMILES for methyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate is COC(=O)c1ccccc1N(C)C1CCC(O)CC1.
What is the InChIKey of methyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate?
The InChIKey is LFDNHFAHCGIAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(11-7-9-12(17)10-8-11)14-6-4-3-5-13(14)15(18)19-2/h3-6,11-12,17H,7-10H2,1-2H3.
What are the key properties of methyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate?
methyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate has a molecular weight of 263.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate is sourced from PubChem (CID 117029658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).