[4-(methylamino)phenyl]methyl cyclohexanecarboxylate

C15H21NO2 — CID 167208592

IUPAC[4-(methylamino)phenyl]methyl cyclohexanecarboxylate
SMILESCNc1ccc(COC(=O)C2CCCCC2)cc1
InChIInChI=1S/C15H21NO2/c1-16-14-9-7-12(8-10-14)11-18-15(17)13-5-3-2-4-6-13/h7-10,13,16H,2-6,11H2,1H3
InChIKeyGRWDJVRSRKLKSF-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.35
Rot. Bonds4

About [4-(methylamino)phenyl]methyl cyclohexanecarboxylate

[4-(methylamino)phenyl]methyl cyclohexanecarboxylate (PubChem CID 167208592) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [4-(methylamino)phenyl]methyl cyclohexanecarboxylate.

Molecular Properties

Compound Name[4-(methylamino)phenyl]methyl cyclohexanecarboxylate
PubChem CID167208592
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[4-(methylamino)phenyl]methyl cyclohexanecarboxylate
SMILESCNc1ccc(COC(=O)C2CCCCC2)cc1
InChIInChI=1S/C15H21NO2/c1-16-14-9-7-12(8-10-14)11-18-15(17)13-5-3-2-4-6-13/h7-10,13,16H,2-6,11H2,1H3
InChIKeyGRWDJVRSRKLKSF-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethenylphenyl)methyl cyclopentanecarboxylate
CID 175015138
[2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 3621562
[4-[4-(methylamino)phenyl]phenyl]methyl acetate
CID 160628710
[4-(methylamino)phenyl]methyl 2-sulfanylpropanoate
CID 139308060
[4-(methylamino)phenyl]methyl 2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 176556052
(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate
CID 174456641
[4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen
CID 142561776
(4-bromophenyl)methyl 4-(methylamino)benzoate
CID 104698988
N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide
CID 106909905
benzyl 4-methoxycyclohexane-1-carboxylate
CID 118262723
trans-(1S,3S)-3-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 68554309
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)phenyl]methyl cyclohexanecarboxylate?
The IUPAC name of [4-(methylamino)phenyl]methyl cyclohexanecarboxylate (CID 167208592) is [4-(methylamino)phenyl]methyl cyclohexanecarboxylate.
What is the SMILES notation for [4-(methylamino)phenyl]methyl cyclohexanecarboxylate?
The canonical SMILES for [4-(methylamino)phenyl]methyl cyclohexanecarboxylate is CNc1ccc(COC(=O)C2CCCCC2)cc1.
What is the InChIKey of [4-(methylamino)phenyl]methyl cyclohexanecarboxylate?
The InChIKey is GRWDJVRSRKLKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16-14-9-7-12(8-10-14)11-18-15(17)13-5-3-2-4-6-13/h7-10,13,16H,2-6,11H2,1H3.
What are the key properties of [4-(methylamino)phenyl]methyl cyclohexanecarboxylate?
[4-(methylamino)phenyl]methyl cyclohexanecarboxylate has a molecular weight of 247.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)phenyl]methyl cyclohexanecarboxylate is sourced from PubChem (CID 167208592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).