N,N-dimethyl-4-[(5-methylfuran-2-yl)methylideneamino]aniline

C14H16N2O — CID 781700

IUPACN,N-dimethyl-4-[(5-methylfuran-2-yl)methylideneamino]aniline
SMILESCc1ccc(/C=N/c2ccc(N(C)C)cc2)o1
InChIInChI=1S/C14H16N2O/c1-11-4-9-14(17-11)10-15-12-5-7-13(8-6-12)16(2)3/h4-10H,1-3H3/b15-10+
InChIKeyKYSKTXFRIGTWOQ-XNTDXEJSSA-N
MW228.29 g/mol
LogP3.40
Rot. Bonds3

About N,N-dimethyl-4-[(5-methylfuran-2-yl)methylideneamino]aniline

N,N-dimethyl-4-[(5-methylfuran-2-yl)methylideneamino]aniline (PubChem CID 781700) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is N,N-dimethyl-4-[(5-methylfuran-2-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(5-methylfuran-2-yl)methylideneamino]aniline
PubChem CID781700
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC NameN,N-dimethyl-4-[(5-methylfuran-2-yl)methylideneamino]aniline
SMILESCc1ccc(/C=N/c2ccc(N(C)C)cc2)o1
InChIInChI=1S/C14H16N2O/c1-11-4-9-14(17-11)10-15-12-5-7-13(8-6-12)16(2)3/h4-10H,1-3H3/b15-10+
InChIKeyKYSKTXFRIGTWOQ-XNTDXEJSSA-N
XLogP3.40
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(5-methylfuran-2-yl)methylideneamino]aniline?
The IUPAC name of N,N-dimethyl-4-[(5-methylfuran-2-yl)methylideneamino]aniline (CID 781700) is N,N-dimethyl-4-[(5-methylfuran-2-yl)methylideneamino]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(5-methylfuran-2-yl)methylideneamino]aniline?
The canonical SMILES for N,N-dimethyl-4-[(5-methylfuran-2-yl)methylideneamino]aniline is Cc1ccc(/C=N/c2ccc(N(C)C)cc2)o1.
What is the InChIKey of N,N-dimethyl-4-[(5-methylfuran-2-yl)methylideneamino]aniline?
The InChIKey is KYSKTXFRIGTWOQ-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-4-9-14(17-11)10-15-12-5-7-13(8-6-12)16(2)3/h4-10H,1-3H3/b15-10+.
What are the key properties of N,N-dimethyl-4-[(5-methylfuran-2-yl)methylideneamino]aniline?
N,N-dimethyl-4-[(5-methylfuran-2-yl)methylideneamino]aniline has a molecular weight of 228.29 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(5-methylfuran-2-yl)methylideneamino]aniline is sourced from PubChem (CID 781700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).