methyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate

C16H23NO2 — CID 107416889

IUPACmethyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNCC2CCCC2C)cc1
InChIInChI=1S/C16H23NO2/c1-12-4-3-5-15(12)11-17-10-13-6-8-14(9-7-13)16(18)19-2/h6-9,12,15,17H,3-5,10-11H2,1-2H3
InChIKeyVAFJDHIQZNWJPW-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.00
Rot. Bonds5

About methyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate

methyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate (PubChem CID 107416889) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
PubChem CID107416889
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNCC2CCCC2C)cc1
InChIInChI=1S/C16H23NO2/c1-12-4-3-5-15(12)11-17-10-13-6-8-14(9-7-13)16(18)19-2/h6-9,12,15,17H,3-5,10-11H2,1-2H3
InChIKeyVAFJDHIQZNWJPW-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

methyl 4-[[(4-methylcyclohexyl)methylamino]methyl]benzoate
CID 63243065
1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine
CID 107416782
N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416779
methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
CID 107417154
1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine
CID 63455202
1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453620
methyl 4-(2-methylcyclopentyl)benzoate
CID 138974575
methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate
CID 115905006
2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol
CID 107416951
2-methoxy-5-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 55013429
methyl 4-[(cyclopropylamino)methyl]benzoate
CID 16784234
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417631

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate (CID 107416889) is methyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate is COC(=O)c1ccc(CNCC2CCCC2C)cc1.
What is the InChIKey of methyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate?
The InChIKey is VAFJDHIQZNWJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-4-3-5-15(12)11-17-10-13-6-8-14(9-7-13)16(18)19-2/h6-9,12,15,17H,3-5,10-11H2,1-2H3.
What are the key properties of methyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate?
methyl 4-[[(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 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate is sourced from PubChem (CID 107416889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).