N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide

C17H20N2O — CID 60918762

IUPACN-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2ccc(CN)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-2-13-7-9-16(10-8-13)17(20)19-12-15-5-3-14(11-18)4-6-15/h3-10H,2,11-12,18H2,1H3,(H,19,20)
InChIKeyVIMHHEBQNWCWAZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.64
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide

N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide (PubChem CID 60918762) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
PubChem CID60918762
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2ccc(CN)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-2-13-7-9-16(10-8-13)17(20)19-12-15-5-3-14(11-18)4-6-15/h3-10H,2,11-12,18H2,1H3,(H,19,20)
InChIKeyVIMHHEBQNWCWAZ-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229542
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064
N-[[2-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 62950627
N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041396
4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119334153
N-[(4-ethylphenyl)methyl]-4-nitrobenzamide
CID 71822483
N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide
CID 71822308
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969
4-ethyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110902443
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide (CID 60918762) is N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide is CCc1ccc(C(=O)NCc2ccc(CN)cc2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide?
The InChIKey is VIMHHEBQNWCWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-13-7-9-16(10-8-13)17(20)19-12-15-5-3-14(11-18)4-6-15/h3-10H,2,11-12,18H2,1H3,(H,19,20).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide?
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide is sourced from PubChem (CID 60918762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).