methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate

C15H21NO2 — CID 115905006

IUPACmethyl 4-[(2-cyclopropylpropylamino)methyl]benzoate
SMILESCOC(=O)c1ccc(CNCC(C)C2CC2)cc1
InChIInChI=1S/C15H21NO2/c1-11(13-7-8-13)9-16-10-12-3-5-14(6-4-12)15(17)18-2/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyWUIWUSPBFCLTDZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.61
Rot. Bonds6

About methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate

methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate (PubChem CID 115905006) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-cyclopropylpropylamino)methyl]benzoate
PubChem CID115905006
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 4-[(2-cyclopropylpropylamino)methyl]benzoate
SMILESCOC(=O)c1ccc(CNCC(C)C2CC2)cc1
InChIInChI=1S/C15H21NO2/c1-11(13-7-8-13)9-16-10-12-3-5-14(6-4-12)15(17)18-2/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyWUIWUSPBFCLTDZ-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate
CID 115905012
methyl 4-[[(4-methylcyclohexyl)methylamino]methyl]benzoate
CID 63243065
methyl 4-[(cyclopropylamino)methyl]benzoate
CID 16784234
methyl 4-[(prop-2-ynylamino)methyl]benzoate;hydrochloride
CID 170912293
2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115592709
methyl 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]benzoate
CID 103920556
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
methyl 4-[[(4-bromophenyl)methylamino]methyl]benzoate
CID 60685580
methyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
CID 107416889
methyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate
CID 103923526
methyl 4-[(thiolan-3-ylamino)methyl]benzoate
CID 103923433
2-cyclopropyl-N-[(6-methoxynaphthalen-2-yl)methyl]propan-1-amine
CID 115592755

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate?
The IUPAC name of methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate (CID 115905006) is methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate.
What is the SMILES notation for methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate?
The canonical SMILES for methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate is COC(=O)c1ccc(CNCC(C)C2CC2)cc1.
What is the InChIKey of methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate?
The InChIKey is WUIWUSPBFCLTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(13-7-8-13)9-16-10-12-3-5-14(6-4-12)15(17)18-2/h3-6,11,13,16H,7-10H2,1-2H3.
What are the key properties of methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate?
methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate has a molecular weight of 247.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate is sourced from PubChem (CID 115905006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).