N-[2-[(3-ethylphenyl)methyl-methylamino]phenyl]-N-methylformamide

C18H22N2O — CID 167055986

IUPACN-[2-[(3-ethylphenyl)methyl-methylamino]phenyl]-N-methylformamide
SMILESCCc1cccc(CN(C)c2ccccc2N(C)C=O)c1
InChIInChI=1S/C18H22N2O/c1-4-15-8-7-9-16(12-15)13-19(2)17-10-5-6-11-18(17)20(3)14-21/h5-12,14H,4,13H2,1-3H3
InChIKeyHMBCSWQYZZQUKJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.48
Rot. Bonds6

About N-[2-[(3-ethylphenyl)methyl-methylamino]phenyl]-N-methylformamide

N-[2-[(3-ethylphenyl)methyl-methylamino]phenyl]-N-methylformamide (PubChem CID 167055986) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-[(3-ethylphenyl)methyl-methylamino]phenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-[(3-ethylphenyl)methyl-methylamino]phenyl]-N-methylformamide
PubChem CID167055986
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[2-[(3-ethylphenyl)methyl-methylamino]phenyl]-N-methylformamide
SMILESCCc1cccc(CN(C)c2ccccc2N(C)C=O)c1
InChIInChI=1S/C18H22N2O/c1-4-15-8-7-9-16(12-15)13-19(2)17-10-5-6-11-18(17)20(3)14-21/h5-12,14H,4,13H2,1-3H3
InChIKeyHMBCSWQYZZQUKJ-UHFFFAOYSA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[5-ethyl-2-(methylamino)phenyl]-N-methylformamide
CID 155460422
3-[benzyl(methyl)amino]thiophene-2-carbaldehyde
CID 101025514
3-[(N-methylanilino)methyl]benzaldehyde
CID 122476125
2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide
CID 162420357
3-[3-[(N,2-dimethylanilino)methyl]phenyl]prop-2-enoic acid
CID 76931011
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
3-[(2-fluoro-N-methylanilino)methyl]phenol
CID 82978376
N'-benzyl-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;butane;ethane
CID 143170387
methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate
CID 60694372
1-[2-[(3-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 61416058
(1S)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol
CID 103959815
(1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol
CID 103959816

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-ethylphenyl)methyl-methylamino]phenyl]-N-methylformamide?
The IUPAC name of N-[2-[(3-ethylphenyl)methyl-methylamino]phenyl]-N-methylformamide (CID 167055986) is N-[2-[(3-ethylphenyl)methyl-methylamino]phenyl]-N-methylformamide.
What is the SMILES notation for N-[2-[(3-ethylphenyl)methyl-methylamino]phenyl]-N-methylformamide?
The canonical SMILES for N-[2-[(3-ethylphenyl)methyl-methylamino]phenyl]-N-methylformamide is CCc1cccc(CN(C)c2ccccc2N(C)C=O)c1.
What is the InChIKey of N-[2-[(3-ethylphenyl)methyl-methylamino]phenyl]-N-methylformamide?
The InChIKey is HMBCSWQYZZQUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-15-8-7-9-16(12-15)13-19(2)17-10-5-6-11-18(17)20(3)14-21/h5-12,14H,4,13H2,1-3H3.
What are the key properties of N-[2-[(3-ethylphenyl)methyl-methylamino]phenyl]-N-methylformamide?
N-[2-[(3-ethylphenyl)methyl-methylamino]phenyl]-N-methylformamide has a molecular weight of 282.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-ethylphenyl)methyl-methylamino]phenyl]-N-methylformamide is sourced from PubChem (CID 167055986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).