methyl 2-(hexan-2-ylamino)benzoate

C14H21NO2 — CID 43774536

IUPACmethyl 2-(hexan-2-ylamino)benzoate
SMILESCCCCC(C)Nc1ccccc1C(=O)OC
InChIInChI=1S/C14H21NO2/c1-4-5-8-11(2)15-13-10-7-6-9-12(13)14(16)17-3/h6-7,9-11,15H,4-5,8H2,1-3H3
InChIKeyZGEADVIFWXDEIR-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.46
Rot. Bonds6

About methyl 2-(hexan-2-ylamino)benzoate

methyl 2-(hexan-2-ylamino)benzoate (PubChem CID 43774536) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-(hexan-2-ylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(hexan-2-ylamino)benzoate
PubChem CID43774536
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 2-(hexan-2-ylamino)benzoate
SMILESCCCCC(C)Nc1ccccc1C(=O)OC
InChIInChI=1S/C14H21NO2/c1-4-5-8-11(2)15-13-10-7-6-9-12(13)14(16)17-3/h6-7,9-11,15H,4-5,8H2,1-3H3
InChIKeyZGEADVIFWXDEIR-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[(2R)-octan-2-yl]amino]benzoate
CID 93257053
ethyl 2-(hexan-2-ylamino)benzoate
CID 43774647
methyl 2-amino-3-(heptan-2-ylamino)benzoate
CID 113332721
methyl 2-(heptan-2-ylamino)-5-methylbenzoate
CID 43679128
methyl 5-fluoro-2-(heptan-2-ylamino)benzoate
CID 43735422
methyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate
CID 43321970
methyl 2-(2-methylpentanoylamino)benzoate
CID 2904418
methyl 2-(2-ethylhexanoylamino)benzoate
CID 4589929
methyl 2-(2-methylpentan-3-ylamino)benzoate
CID 43774537
methyl 2-(2-methyldecylamino)benzoate
CID 3023984
ethyl 2-amino-3-(heptan-2-ylamino)benzoate
CID 115545216
N-hexan-2-ylnaphthalen-1-amine
CID 43757471

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hexan-2-ylamino)benzoate?
The IUPAC name of methyl 2-(hexan-2-ylamino)benzoate (CID 43774536) is methyl 2-(hexan-2-ylamino)benzoate.
What is the SMILES notation for methyl 2-(hexan-2-ylamino)benzoate?
The canonical SMILES for methyl 2-(hexan-2-ylamino)benzoate is CCCCC(C)Nc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-(hexan-2-ylamino)benzoate?
The InChIKey is ZGEADVIFWXDEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-5-8-11(2)15-13-10-7-6-9-12(13)14(16)17-3/h6-7,9-11,15H,4-5,8H2,1-3H3.
What are the key properties of methyl 2-(hexan-2-ylamino)benzoate?
methyl 2-(hexan-2-ylamino)benzoate has a molecular weight of 235.33 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hexan-2-ylamino)benzoate is sourced from PubChem (CID 43774536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).