1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate

C16H25NO2 — CID 82533321

IUPAC1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate
SMILESCCCCC(=O)OC(C)CNCc1cccc(C)c1
InChIInChI=1S/C16H25NO2/c1-4-5-9-16(18)19-14(3)11-17-12-15-8-6-7-13(2)10-15/h6-8,10,14,17H,4-5,9,11-12H2,1-3H3
InChIKeyVZPMCSUPQUSKFN-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.21
Rot. Bonds8

About 1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate

1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate (PubChem CID 82533321) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate.

Molecular Properties

Compound Name1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate
PubChem CID82533321
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate
SMILESCCCCC(=O)OC(C)CNCc1cccc(C)c1
InChIInChI=1S/C16H25NO2/c1-4-5-9-16(18)19-14(3)11-17-12-15-8-6-7-13(2)10-15/h6-8,10,14,17H,4-5,9,11-12H2,1-3H3
InChIKeyVZPMCSUPQUSKFN-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate 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

1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate
CID 82533188
methyl 4-[(3-methylphenyl)methylamino]butanoate
CID 60694757
ethyl 3-hydroxy-4-[(3-methylphenyl)methylamino]butanoate
CID 103239917
1-(benzylamino)propan-2-yl propanoate
CID 82533604
2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 43110036
1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate
CID 82532910
N-butyl-N'-[(3-methylphenyl)methyl]oxamide
CID 108983947
1-[(4-methylphenyl)methylamino]propan-2-yl 3-methylbutanoate
CID 82533507
4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol
CID 103631788
[(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate
CID 51514544
1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54804115
3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 43106207

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate?
The IUPAC name of 1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate (CID 82533321) is 1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate.
What is the SMILES notation for 1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate?
The canonical SMILES for 1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate is CCCCC(=O)OC(C)CNCc1cccc(C)c1.
What is the InChIKey of 1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate?
The InChIKey is VZPMCSUPQUSKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-5-9-16(18)19-14(3)11-17-12-15-8-6-7-13(2)10-15/h6-8,10,14,17H,4-5,9,11-12H2,1-3H3.
What are the key properties of 1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate?
1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate has a molecular weight of 263.38 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate is sourced from PubChem (CID 82533321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).