N,3-dimethylaniline;methyl formate

C10H15NO2 — CID 143511475

IUPACN,3-dimethylaniline;methyl formate
SMILESCNc1cccc(C)c1.COC=O
InChIInChI=1S/C8H11N.C2H4O2/c1-7-4-3-5-8(6-7)9-2;1-4-2-3/h3-6,9H,1-2H3;2H,1H3
InChIKeySFZJHJQLPIBXKC-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.83
Rot. Bonds2

About N,3-dimethylaniline;methyl formate

N,3-dimethylaniline;methyl formate (PubChem CID 143511475) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N,3-dimethylaniline;methyl formate.

Molecular Properties

Compound NameN,3-dimethylaniline;methyl formate
PubChem CID143511475
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN,3-dimethylaniline;methyl formate
SMILESCNc1cccc(C)c1.COC=O
InChIInChI=1S/C8H11N.C2H4O2/c1-7-4-3-5-8(6-7)9-2;1-4-2-3/h3-6,9H,1-2H3;2H,1H3
InChIKeySFZJHJQLPIBXKC-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetaldehyde;N-methyl-3-(3-methylphenyl)aniline
CID 142087034
(E)-2-amino-3-(methylamino)but-2-enal;N,3-dimethylaniline;ethane
CID 144906249
N-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide
CID 143184323
N-ethenyl-3-methylaniline
CID 69480469
N-methyl-3-(3-methylphenyl)sulfanylaniline
CID 117033152
methyl formate;1,2,4-trimethylbenzene
CID 143881724
3-(methylamino)-4-(3-methylanilino)cyclobut-3-ene-1,2-dione
CID 134424201
methyl (Z)-3-(3-methylanilino)but-2-enoate
CID 129322620
(3-methylanilino)azanium
CID 4555748
ethane;N-[methoxy(methyl)phosphoryl]-3-methylaniline
CID 176559926
(3-methylanilino)-oxosulfanium
CID 143284589
N-(3-methylphenyl)acetamide
CID 10843

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylaniline;methyl formate?
The IUPAC name of N,3-dimethylaniline;methyl formate (CID 143511475) is N,3-dimethylaniline;methyl formate.
What is the SMILES notation for N,3-dimethylaniline;methyl formate?
The canonical SMILES for N,3-dimethylaniline;methyl formate is CNc1cccc(C)c1.COC=O.
What is the InChIKey of N,3-dimethylaniline;methyl formate?
The InChIKey is SFZJHJQLPIBXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C2H4O2/c1-7-4-3-5-8(6-7)9-2;1-4-2-3/h3-6,9H,1-2H3;2H,1H3.
What are the key properties of N,3-dimethylaniline;methyl formate?
N,3-dimethylaniline;methyl formate has a molecular weight of 181.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylaniline;methyl formate is sourced from PubChem (CID 143511475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).