(3-methyloxetan-3-yl)methyl 5-chloro-2-(ethylamino)benzoate

C14H18ClNO3 — CID 99795603

IUPAC(3-methyloxetan-3-yl)methyl 5-chloro-2-(ethylamino)benzoate
SMILESCCNc1ccc(Cl)cc1C(=O)OCC1(C)COC1
InChIInChI=1S/C14H18ClNO3/c1-3-16-12-5-4-10(15)6-11(12)13(17)19-9-14(2)7-18-8-14/h4-6,16H,3,7-9H2,1-2H3
InChIKeyFOHFJRCAFPUXKI-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.97
Rot. Bonds5

About (3-methyloxetan-3-yl)methyl 5-chloro-2-(ethylamino)benzoate

(3-methyloxetan-3-yl)methyl 5-chloro-2-(ethylamino)benzoate (PubChem CID 99795603) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)methyl 5-chloro-2-(ethylamino)benzoate.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)methyl 5-chloro-2-(ethylamino)benzoate
PubChem CID99795603
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name(3-methyloxetan-3-yl)methyl 5-chloro-2-(ethylamino)benzoate
SMILESCCNc1ccc(Cl)cc1C(=O)OCC1(C)COC1
InChIInChI=1S/C14H18ClNO3/c1-3-16-12-5-4-10(15)6-11(12)13(17)19-9-14(2)7-18-8-14/h4-6,16H,3,7-9H2,1-2H3
InChIKeyFOHFJRCAFPUXKI-UHFFFAOYSA-N
XLogP2.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
[5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62174798
5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
methyl 5-chloro-2-(pentylamino)benzoate
CID 18803223
5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
ethyl 5-amino-2-(ethylamino)benzoate
CID 61313445
methyl 5-chloro-2-(2,2-dimethoxyethylamino)benzoate
CID 63685157
[4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate
CID 99802669
[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165244
5-chloro-N-(cyclohexylmethyl)-2-(ethylamino)benzamide
CID 63500418
methyl 5-chloro-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate
CID 79907432

Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)methyl 5-chloro-2-(ethylamino)benzoate?
The IUPAC name of (3-methyloxetan-3-yl)methyl 5-chloro-2-(ethylamino)benzoate (CID 99795603) is (3-methyloxetan-3-yl)methyl 5-chloro-2-(ethylamino)benzoate.
What is the SMILES notation for (3-methyloxetan-3-yl)methyl 5-chloro-2-(ethylamino)benzoate?
The canonical SMILES for (3-methyloxetan-3-yl)methyl 5-chloro-2-(ethylamino)benzoate is CCNc1ccc(Cl)cc1C(=O)OCC1(C)COC1.
What is the InChIKey of (3-methyloxetan-3-yl)methyl 5-chloro-2-(ethylamino)benzoate?
The InChIKey is FOHFJRCAFPUXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-3-16-12-5-4-10(15)6-11(12)13(17)19-9-14(2)7-18-8-14/h4-6,16H,3,7-9H2,1-2H3.
What are the key properties of (3-methyloxetan-3-yl)methyl 5-chloro-2-(ethylamino)benzoate?
(3-methyloxetan-3-yl)methyl 5-chloro-2-(ethylamino)benzoate has a molecular weight of 283.75 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl)methyl 5-chloro-2-(ethylamino)benzoate is sourced from PubChem (CID 99795603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).