methyl 2-[1-(4-methylphenyl)ethylamino]benzoate

C17H19NO2 — CID 43322026

IUPACmethyl 2-[1-(4-methylphenyl)ethylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(C)c1ccc(C)cc1
InChIInChI=1S/C17H19NO2/c1-12-8-10-14(11-9-12)13(2)18-16-7-5-4-6-15(16)17(19)20-3/h4-11,13,18H,1-3H3
InChIKeyKVCQVBGDFUYYPP-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.95
Rot. Bonds4

About methyl 2-[1-(4-methylphenyl)ethylamino]benzoate

methyl 2-[1-(4-methylphenyl)ethylamino]benzoate (PubChem CID 43322026) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 2-[1-(4-methylphenyl)ethylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[1-(4-methylphenyl)ethylamino]benzoate
PubChem CID43322026
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-[1-(4-methylphenyl)ethylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(C)c1ccc(C)cc1
InChIInChI=1S/C17H19NO2/c1-12-8-10-14(11-9-12)13(2)18-16-7-5-4-6-15(16)17(19)20-3/h4-11,13,18H,1-3H3
InChIKeyKVCQVBGDFUYYPP-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322188
methyl 2-[1-(3,5-dihydroxyphenyl)ethylamino]benzoate
CID 107705419
methyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate
CID 43679229
methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate
CID 43321995
methyl 3-[1-(4-iodophenyl)ethylamino]-2-methylbenzoate
CID 43784580
methyl 2-[1-(3-bromo-4-fluorophenyl)ethylamino]benzoate
CID 43774553
ethyl 2-(1-phenylethylamino)benzoate;hydrochloride
CID 172883208
methyl 2-amino-3-(1-phenylethylamino)benzoate
CID 115544214
2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid
CID 43737323
2-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43322114
methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate
CID 63991837
2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43196651

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-methylphenyl)ethylamino]benzoate?
The IUPAC name of methyl 2-[1-(4-methylphenyl)ethylamino]benzoate (CID 43322026) is methyl 2-[1-(4-methylphenyl)ethylamino]benzoate.
What is the SMILES notation for methyl 2-[1-(4-methylphenyl)ethylamino]benzoate?
The canonical SMILES for methyl 2-[1-(4-methylphenyl)ethylamino]benzoate is COC(=O)c1ccccc1NC(C)c1ccc(C)cc1.
What is the InChIKey of methyl 2-[1-(4-methylphenyl)ethylamino]benzoate?
The InChIKey is KVCQVBGDFUYYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-8-10-14(11-9-12)13(2)18-16-7-5-4-6-15(16)17(19)20-3/h4-11,13,18H,1-3H3.
What are the key properties of methyl 2-[1-(4-methylphenyl)ethylamino]benzoate?
methyl 2-[1-(4-methylphenyl)ethylamino]benzoate has a molecular weight of 269.34 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-methylphenyl)ethylamino]benzoate is sourced from PubChem (CID 43322026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).