methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate

C16H23NO2 — CID 107417154

IUPACmethyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNCC1CCCC1C
InChIInChI=1S/C16H23NO2/c1-12-6-5-8-13(12)10-17-11-14-7-3-4-9-15(14)16(18)19-2/h3-4,7,9,12-13,17H,5-6,8,10-11H2,1-2H3
InChIKeyYOBQWKXKKUJGKY-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.00
Rot. Bonds5

About methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate

methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate (PubChem CID 107417154) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
PubChem CID107417154
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNCC1CCCC1C
InChIInChI=1S/C16H23NO2/c1-12-6-5-8-13(12)10-17-11-14-7-3-4-9-15(14)16(18)19-2/h3-4,7,9,12-13,17H,5-6,8,10-11H2,1-2H3
InChIKeyYOBQWKXKKUJGKY-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid
CID 107418280
methyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
CID 107416889
N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide
CID 66419232
methyl 2-[(thian-2-ylmethylamino)methyl]benzoate
CID 80599965
3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol
CID 107417630
2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 114017972
methyl 2-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)methyl]benzoate
CID 60817429
2-[(cyclohexylmethylamino)methyl]benzamide
CID 43371551
methyl 2-[(2-methylsulfanylethylamino)methyl]benzoate
CID 63981770
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 63455912
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456082
methyl 2-[[(2,4-dimethylcyclohexyl)amino]methyl]benzoate
CID 63995434

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate?
The IUPAC name of methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate (CID 107417154) is methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate?
The canonical SMILES for methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate is COC(=O)c1ccccc1CNCC1CCCC1C.
What is the InChIKey of methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate?
The InChIKey is YOBQWKXKKUJGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-6-5-8-13(12)10-17-11-14-7-3-4-9-15(14)16(18)19-2/h3-4,7,9,12-13,17H,5-6,8,10-11H2,1-2H3.
What are the key properties of methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate?
methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate has a molecular weight of 261.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate is sourced from PubChem (CID 107417154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).