N-[3-[(dimethylamino)methyl]-2-methylphenyl]formamide

C11H16N2O — CID 143959269

IUPACN-[3-[(dimethylamino)methyl]-2-methylphenyl]formamide
SMILESCc1c(CN(C)C)cccc1NC=O
InChIInChI=1S/C11H16N2O/c1-9-10(7-13(2)3)5-4-6-11(9)12-8-14/h4-6,8H,7H2,1-3H3,(H,12,14)
InChIKeyDZURCRWWRFITHY-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.62
Rot. Bonds4

About N-[3-[(dimethylamino)methyl]-2-methylphenyl]formamide

N-[3-[(dimethylamino)methyl]-2-methylphenyl]formamide (PubChem CID 143959269) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]-2-methylphenyl]formamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]-2-methylphenyl]formamide
PubChem CID143959269
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[3-[(dimethylamino)methyl]-2-methylphenyl]formamide
SMILESCc1c(CN(C)C)cccc1NC=O
InChIInChI=1S/C11H16N2O/c1-9-10(7-13(2)3)5-4-6-11(9)12-8-14/h4-6,8H,7H2,1-3H3,(H,12,14)
InChIKeyDZURCRWWRFITHY-UHFFFAOYSA-N
XLogP1.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]-2-methylphenyl]formamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]-2-methylphenyl]formamide (CID 143959269) is N-[3-[(dimethylamino)methyl]-2-methylphenyl]formamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]-2-methylphenyl]formamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]-2-methylphenyl]formamide is Cc1c(CN(C)C)cccc1NC=O.
What is the InChIKey of N-[3-[(dimethylamino)methyl]-2-methylphenyl]formamide?
The InChIKey is DZURCRWWRFITHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-10(7-13(2)3)5-4-6-11(9)12-8-14/h4-6,8H,7H2,1-3H3,(H,12,14).
What are the key properties of N-[3-[(dimethylamino)methyl]-2-methylphenyl]formamide?
N-[3-[(dimethylamino)methyl]-2-methylphenyl]formamide has a molecular weight of 192.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]-2-methylphenyl]formamide is sourced from PubChem (CID 143959269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).