N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide

C17H20N2O — CID 53231447

IUPACN-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide
SMILESCN(Cc1ccccc1)Cc1cccc(CNC=O)c1
InChIInChI=1S/C17H20N2O/c1-19(12-15-6-3-2-4-7-15)13-17-9-5-8-16(10-17)11-18-14-20/h2-10,14H,11-13H2,1H3,(H,18,20)
InChIKeySUMMFLAJYHAVKB-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.56
Rot. Bonds7

About N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide

N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide (PubChem CID 53231447) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide
PubChem CID53231447
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide
SMILESCN(Cc1ccccc1)Cc1cccc(CNC=O)c1
InChIInChI=1S/C17H20N2O/c1-19(12-15-6-3-2-4-7-15)13-17-9-5-8-16(10-17)11-18-14-20/h2-10,14H,11-13H2,1H3,(H,18,20)
InChIKeySUMMFLAJYHAVKB-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzylformamide
CID 139060556
N-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine
CID 174388884
N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432377
benzene-1,2-diol;N-benzylformamide
CID 174601153
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile
CID 43824534
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62419099
1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62431544
N-benzyl-2-formamido-N-methylacetamide
CID 18618309
N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine
CID 62422254
N-methyl-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
CID 44767910
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112665581

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide?
The IUPAC name of N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide (CID 53231447) is N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide.
What is the SMILES notation for N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide?
The canonical SMILES for N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide is CN(Cc1ccccc1)Cc1cccc(CNC=O)c1.
What is the InChIKey of N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide?
The InChIKey is SUMMFLAJYHAVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(12-15-6-3-2-4-7-15)13-17-9-5-8-16(10-17)11-18-14-20/h2-10,14H,11-13H2,1H3,(H,18,20).
What are the key properties of N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide?
N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide has a molecular weight of 268.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide is sourced from PubChem (CID 53231447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).