1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone

C20H18N2O — CID 159973548

IUPAC1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone
SMILESNCc1ccnc(-c2cccc(C(=O)Cc3ccccc3)c2)c1
InChIInChI=1S/C20H18N2O/c21-14-16-9-10-22-19(11-16)17-7-4-8-18(13-17)20(23)12-15-5-2-1-3-6-15/h1-11,13H,12,14,21H2
InChIKeyOEWAZKDLIZZODQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.63
Rot. Bonds5

About 1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone

1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone (PubChem CID 159973548) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone
PubChem CID159973548
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone
SMILESNCc1ccnc(-c2cccc(C(=O)Cc3ccccc3)c2)c1
InChIInChI=1S/C20H18N2O/c21-14-16-9-10-22-19(11-16)17-7-4-8-18(13-17)20(23)12-15-5-2-1-3-6-15/h1-11,13H,12,14,21H2
InChIKeyOEWAZKDLIZZODQ-UHFFFAOYSA-N
XLogP3.63
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-phenylmethoxyphenyl)-4-pyridinyl]methanamine
CID 171365592
[2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride
CID 171365586
3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride
CID 138038044
3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride
CID 154810020
[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride
CID 171365585
3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide
CID 122516199
1-(2-phenyl-4-pyridinyl)butan-1-one
CID 44538893
1-(3-iodophenyl)-2-phenylethanone
CID 24723883
[2-[4-(aminomethyl)phenyl]-4-pyridinyl]methanol
CID 150361039
2-(2-phenyl-4-pyridinyl)ethanol
CID 117001628
4-benzyl-2-(4-phenylphenyl)pyridine
CID 162707059
1,2-diphenylethanone;diphenylmethanone
CID 141067729

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone?
The IUPAC name of 1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone (CID 159973548) is 1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone.
What is the SMILES notation for 1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone?
The canonical SMILES for 1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone is NCc1ccnc(-c2cccc(C(=O)Cc3ccccc3)c2)c1.
What is the InChIKey of 1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone?
The InChIKey is OEWAZKDLIZZODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c21-14-16-9-10-22-19(11-16)17-7-4-8-18(13-17)20(23)12-15-5-2-1-3-6-15/h1-11,13H,12,14,21H2.
What are the key properties of 1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone?
1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone has a molecular weight of 302.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone is sourced from PubChem (CID 159973548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).