methyl 4-[[2-amino-1-(4-cyclohexylphenyl)ethoxy]methyl]benzoate

C23H29NO3 — CID 10595141

IUPACmethyl 4-[[2-amino-1-(4-cyclohexylphenyl)ethoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COC(CN)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C23H29NO3/c1-26-23(25)21-9-7-17(8-10-21)16-27-22(15-24)20-13-11-19(12-14-20)18-5-3-2-4-6-18/h7-14,18,22H,2-6,15-16,24H2,1H3
InChIKeyMVLZUDPNUXHDID-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.74
Rot. Bonds7

About methyl 4-[[2-amino-1-(4-cyclohexylphenyl)ethoxy]methyl]benzoate

methyl 4-[[2-amino-1-(4-cyclohexylphenyl)ethoxy]methyl]benzoate (PubChem CID 10595141) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is methyl 4-[[2-amino-1-(4-cyclohexylphenyl)ethoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-amino-1-(4-cyclohexylphenyl)ethoxy]methyl]benzoate
PubChem CID10595141
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Namemethyl 4-[[2-amino-1-(4-cyclohexylphenyl)ethoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COC(CN)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C23H29NO3/c1-26-23(25)21-9-7-17(8-10-21)16-27-22(15-24)20-13-11-19(12-14-20)18-5-3-2-4-6-18/h7-14,18,22H,2-6,15-16,24H2,1H3
InChIKeyMVLZUDPNUXHDID-UHFFFAOYSA-N
XLogP4.74
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-amino-1-(4-tert-butylphenyl)ethoxy]methyl]benzoate
CID 10545197
methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
CID 925837
methyl 4-[3-(4-cyclohexylphenyl)-3-oxopropanoyl]benzoate
CID 67375575
methyl 4-[(4-cyclohexylphenyl)methylamino]benzoate
CID 67485130
methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate
CID 171212686
methyl 4-[(4-cyclohexylanilino)methyl]benzoate;methyl 4-formylbenzoate
CID 87417840
methyl 4-[(R)-amino(cyclopentyl)methyl]benzoate
CID 171212684
N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide
CID 119995934
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
methyl 4-[(4-cyclohexylphenyl)iminomethyl]benzoate
CID 67483323
(4-cyclohexylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126185466
methyl 4-(2-cyclohexylethyl)benzoate
CID 134304144

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-amino-1-(4-cyclohexylphenyl)ethoxy]methyl]benzoate?
The IUPAC name of methyl 4-[[2-amino-1-(4-cyclohexylphenyl)ethoxy]methyl]benzoate (CID 10595141) is methyl 4-[[2-amino-1-(4-cyclohexylphenyl)ethoxy]methyl]benzoate.
What is the SMILES notation for methyl 4-[[2-amino-1-(4-cyclohexylphenyl)ethoxy]methyl]benzoate?
The canonical SMILES for methyl 4-[[2-amino-1-(4-cyclohexylphenyl)ethoxy]methyl]benzoate is COC(=O)c1ccc(COC(CN)c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of methyl 4-[[2-amino-1-(4-cyclohexylphenyl)ethoxy]methyl]benzoate?
The InChIKey is MVLZUDPNUXHDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-26-23(25)21-9-7-17(8-10-21)16-27-22(15-24)20-13-11-19(12-14-20)18-5-3-2-4-6-18/h7-14,18,22H,2-6,15-16,24H2,1H3.
What are the key properties of methyl 4-[[2-amino-1-(4-cyclohexylphenyl)ethoxy]methyl]benzoate?
methyl 4-[[2-amino-1-(4-cyclohexylphenyl)ethoxy]methyl]benzoate has a molecular weight of 367.49 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-amino-1-(4-cyclohexylphenyl)ethoxy]methyl]benzoate is sourced from PubChem (CID 10595141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).