N-methylaniline

C7H9N — CID 7515

IUPACN-methylaniline
SMILESCNc1ccccc1
InChIInChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyAFBPFSWMIHJQDM-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.73
Rot. Bonds1

About N-methylaniline

N-methylaniline (PubChem CID 7515) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is N-methylaniline.

Molecular Properties

Compound NameN-methylaniline
PubChem CID7515
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC NameN-methylaniline
SMILESCNc1ccccc1
InChIInChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyAFBPFSWMIHJQDM-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Acetanilide
CID 904
Diphenylamine
CID 11487
N,N-Dimethylaniline
CID 949
N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
Formanilide
CID 7671
N-Ethylaniline
CID 7670
N,N-dimethyl-p-phenylenediamine
CID 7472
1-Phenylpiperazine
CID 7096
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N-Diethylaniline
CID 7061
N-Methyl-N-nitrosoaniline
CID 11957
N-Isopropylaniline
CID 13032

Frequently Asked Questions

What is the IUPAC name of N-methylaniline?
The IUPAC name of N-methylaniline (CID 7515) is N-methylaniline.
What is the SMILES notation for N-methylaniline?
The canonical SMILES for N-methylaniline is CNc1ccccc1.
What is the InChIKey of N-methylaniline?
The InChIKey is AFBPFSWMIHJQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3.
What are the key properties of N-methylaniline?
N-methylaniline has a molecular weight of 107.16 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylaniline is sourced from PubChem (CID 7515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).