[3-(aminomethyl)phenyl]-(4-propylphenyl)methanone

C17H19NO — CID 116917494

IUPAC[3-(aminomethyl)phenyl]-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2cccc(CN)c2)cc1
InChIInChI=1S/C17H19NO/c1-2-4-13-7-9-15(10-8-13)17(19)16-6-3-5-14(11-16)12-18/h3,5-11H,2,4,12,18H2,1H3
InChIKeyMPBOCZOQZZZCEI-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.33
Rot. Bonds5

About [3-(aminomethyl)phenyl]-(4-propylphenyl)methanone

[3-(aminomethyl)phenyl]-(4-propylphenyl)methanone (PubChem CID 116917494) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]-(4-propylphenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]-(4-propylphenyl)methanone
PubChem CID116917494
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name[3-(aminomethyl)phenyl]-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2cccc(CN)c2)cc1
InChIInChI=1S/C17H19NO/c1-2-4-13-7-9-15(10-8-13)17(19)16-6-3-5-14(11-16)12-18/h3,5-11H,2,4,12,18H2,1H3
InChIKeyMPBOCZOQZZZCEI-UHFFFAOYSA-N
XLogP3.33
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
(4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone
CID 116609874
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
(4-aminophenyl)-(3-ethylphenyl)methanone
CID 116548793
[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone
CID 105133978
ethyl 3-(aminomethyl)benzoate
CID 15079215
(3-propoxyphenyl)-(3-propylphenyl)methanone
CID 115812256
(4-tert-butylphenyl)-(4-propylphenyl)methanone
CID 24723303
(4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone
CID 107996346
(3-amino-5-methylphenyl)-(4-propylphenyl)methanone
CID 113396436
[4-(2-aminoethyl)phenyl]-phenylmethanone
CID 14368635

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]-(4-propylphenyl)methanone?
The IUPAC name of [3-(aminomethyl)phenyl]-(4-propylphenyl)methanone (CID 116917494) is [3-(aminomethyl)phenyl]-(4-propylphenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)phenyl]-(4-propylphenyl)methanone?
The canonical SMILES for [3-(aminomethyl)phenyl]-(4-propylphenyl)methanone is CCCc1ccc(C(=O)c2cccc(CN)c2)cc1.
What is the InChIKey of [3-(aminomethyl)phenyl]-(4-propylphenyl)methanone?
The InChIKey is MPBOCZOQZZZCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-4-13-7-9-15(10-8-13)17(19)16-6-3-5-14(11-16)12-18/h3,5-11H,2,4,12,18H2,1H3.
What are the key properties of [3-(aminomethyl)phenyl]-(4-propylphenyl)methanone?
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanone has a molecular weight of 253.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]-(4-propylphenyl)methanone is sourced from PubChem (CID 116917494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).