[4-(aminomethyl)phenyl]methyl propanoate

C11H15NO2 — CID 166101936

IUPAC[4-(aminomethyl)phenyl]methyl propanoate
SMILESCCC(=O)OCc1ccc(CN)cc1
InChIInChI=1S/C11H15NO2/c1-2-11(13)14-8-10-5-3-9(7-12)4-6-10/h3-6H,2,7-8,12H2,1H3
InChIKeyLSAZADUNWJVJJR-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.60
Rot. Bonds4

About [4-(aminomethyl)phenyl]methyl propanoate

[4-(aminomethyl)phenyl]methyl propanoate (PubChem CID 166101936) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]methyl propanoate.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]methyl propanoate
PubChem CID166101936
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name[4-(aminomethyl)phenyl]methyl propanoate
SMILESCCC(=O)OCc1ccc(CN)cc1
InChIInChI=1S/C11H15NO2/c1-2-11(13)14-8-10-5-3-9(7-12)4-6-10/h3-6H,2,7-8,12H2,1H3
InChIKeyLSAZADUNWJVJJR-UHFFFAOYSA-N
XLogP1.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl propanoate;hydrochloride
CID 140986165
[4-(aminomethyl)phenyl] propanoate
CID 23063742
(4-propan-2-yloxyphenyl)methyl propanoate
CID 130434136
(4-dimethoxyboranylphenyl)methyl propanoate
CID 100941344
[4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide
CID 176717453
[4-(aminomethyl)phenyl]methyl 2-methylpropanoate
CID 166101467
(4-ethylphenyl)methyl 2-aminoacetate
CID 94253757
3-[4-[4-(aminomethyl)benzoyl]phenyl]propyl propanoate
CID 54202693
(3-phenylphenyl)methyl propanoate
CID 67574989
naphthalen-2-ylmethyl propanoate;hydrochloride
CID 174398920
benzyl propanoate;butyl propanoate
CID 19966788
benzyl propanoate;methyl benzoate
CID 70307580

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]methyl propanoate?
The IUPAC name of [4-(aminomethyl)phenyl]methyl propanoate (CID 166101936) is [4-(aminomethyl)phenyl]methyl propanoate.
What is the SMILES notation for [4-(aminomethyl)phenyl]methyl propanoate?
The canonical SMILES for [4-(aminomethyl)phenyl]methyl propanoate is CCC(=O)OCc1ccc(CN)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]methyl propanoate?
The InChIKey is LSAZADUNWJVJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-11(13)14-8-10-5-3-9(7-12)4-6-10/h3-6H,2,7-8,12H2,1H3.
What are the key properties of [4-(aminomethyl)phenyl]methyl propanoate?
[4-(aminomethyl)phenyl]methyl propanoate has a molecular weight of 193.25 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]methyl propanoate is sourced from PubChem (CID 166101936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).