N-[4-[(N-methylanilino)methyl]phenyl]formamide

C15H16N2O — CID 166899743

IUPACN-[4-[(N-methylanilino)methyl]phenyl]formamide
SMILESCN(Cc1ccc(NC=O)cc1)c1ccccc1
InChIInChI=1S/C15H16N2O/c1-17(15-5-3-2-4-6-15)11-13-7-9-14(10-8-13)16-12-18/h2-10,12H,11H2,1H3,(H,16,18)
InChIKeyDIGMJNHWYNNJTH-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.89
Rot. Bonds5

About N-[4-[(N-methylanilino)methyl]phenyl]formamide

N-[4-[(N-methylanilino)methyl]phenyl]formamide (PubChem CID 166899743) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[4-[(N-methylanilino)methyl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[(N-methylanilino)methyl]phenyl]formamide
PubChem CID166899743
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-[4-[(N-methylanilino)methyl]phenyl]formamide
SMILESCN(Cc1ccc(NC=O)cc1)c1ccccc1
InChIInChI=1S/C15H16N2O/c1-17(15-5-3-2-4-6-15)11-13-7-9-14(10-8-13)16-12-18/h2-10,12H,11H2,1H3,(H,16,18)
InChIKeyDIGMJNHWYNNJTH-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.89
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-[4-[(N-methylanilino)methyl]phenyl]benzamide
CID 170063802
(Z,2E)-2-ethylidene-N-[4-[(N-methylanilino)methyl]phenyl]pent-3-enamide
CID 170063798
N-benzyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280663
aniline;N-benzyl-N-methylaniline
CID 163577424
3-[(N-methylanilino)methyl]benzaldehyde
CID 122476125
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
lithium;hydride;N-phenylformamide
CID 174281873
cesium;hydride;N-phenylformamide
CID 173414611
3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea
CID 60543423
N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline
CID 105346501
3-[4-[benzyl(methyl)amino]phenyl]propanoic acid
CID 82305598
4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline
CID 115212690

Frequently Asked Questions

What is the IUPAC name of N-[4-[(N-methylanilino)methyl]phenyl]formamide?
The IUPAC name of N-[4-[(N-methylanilino)methyl]phenyl]formamide (CID 166899743) is N-[4-[(N-methylanilino)methyl]phenyl]formamide.
What is the SMILES notation for N-[4-[(N-methylanilino)methyl]phenyl]formamide?
The canonical SMILES for N-[4-[(N-methylanilino)methyl]phenyl]formamide is CN(Cc1ccc(NC=O)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(N-methylanilino)methyl]phenyl]formamide?
The InChIKey is DIGMJNHWYNNJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-17(15-5-3-2-4-6-15)11-13-7-9-14(10-8-13)16-12-18/h2-10,12H,11H2,1H3,(H,16,18).
What are the key properties of N-[4-[(N-methylanilino)methyl]phenyl]formamide?
N-[4-[(N-methylanilino)methyl]phenyl]formamide has a molecular weight of 240.31 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(N-methylanilino)methyl]phenyl]formamide is sourced from PubChem (CID 166899743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).