4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide

C17H20N2O — CID 62314630

IUPAC4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide
SMILESCc1cccc(CCNCc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C17H20N2O/c1-13-3-2-4-14(11-13)9-10-19-12-15-5-7-16(8-6-15)17(18)20/h2-8,11,19H,9-10,12H2,1H3,(H2,18,20)
InChIKeyMAOAQUHIKSPGBV-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.43
Rot. Bonds6

About 4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide

4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide (PubChem CID 62314630) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide
PubChem CID62314630
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide
SMILESCc1cccc(CCNCc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C17H20N2O/c1-13-3-2-4-14(11-13)9-10-19-12-15-5-7-16(8-6-15)17(18)20/h2-8,11,19H,9-10,12H2,1H3,(H2,18,20)
InChIKeyMAOAQUHIKSPGBV-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
CID 62314610
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62314975
4-[(3-methylanilino)methyl]benzamide
CID 28564307
4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide
CID 43232715
2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 103248005
1-[2-(3-methylphenyl)ethylamino]propan-2-one
CID 115235071
3-[4-[2-(benzylamino)ethyl]phenyl]benzamide
CID 58276622
3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide
CID 28574208
4-[2-(3-methylphenyl)ethylamino]butan-2-one
CID 115235975
2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
CID 79832467
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide?
The IUPAC name of 4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide (CID 62314630) is 4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide.
What is the SMILES notation for 4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide?
The canonical SMILES for 4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide is Cc1cccc(CCNCc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide?
The InChIKey is MAOAQUHIKSPGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-3-2-4-14(11-13)9-10-19-12-15-5-7-16(8-6-15)17(18)20/h2-8,11,19H,9-10,12H2,1H3,(H2,18,20).
What are the key properties of 4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide?
4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide has a molecular weight of 268.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide is sourced from PubChem (CID 62314630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).