N-[(E)-(2-fluoro-4-methylphenyl)methylideneamino]-N-methylmethanamine

C10H13FN2 — CID 121216092

IUPACN-[(E)-(2-fluoro-4-methylphenyl)methylideneamino]-N-methylmethanamine
SMILESCc1ccc(/C=N/N(C)C)c(F)c1
InChIInChI=1S/C10H13FN2/c1-8-4-5-9(10(11)6-8)7-12-13(2)3/h4-7H,1-3H3/b12-7+
InChIKeyTZQUPRDRWSZUJI-KPKJPENVSA-N
MW180.23 g/mol
LogP2.03
Rot. Bonds2

About N-[(E)-(2-fluoro-4-methylphenyl)methylideneamino]-N-methylmethanamine

N-[(E)-(2-fluoro-4-methylphenyl)methylideneamino]-N-methylmethanamine (PubChem CID 121216092) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is N-[(E)-(2-fluoro-4-methylphenyl)methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-(2-fluoro-4-methylphenyl)methylideneamino]-N-methylmethanamine
PubChem CID121216092
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC NameN-[(E)-(2-fluoro-4-methylphenyl)methylideneamino]-N-methylmethanamine
SMILESCc1ccc(/C=N/N(C)C)c(F)c1
InChIInChI=1S/C10H13FN2/c1-8-4-5-9(10(11)6-8)7-12-13(2)3/h4-7H,1-3H3/b12-7+
InChIKeyTZQUPRDRWSZUJI-KPKJPENVSA-N
XLogP2.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-fluoro-4-methylphenyl)methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-(2-fluoro-4-methylphenyl)methylideneamino]-N-methylmethanamine (CID 121216092) is N-[(E)-(2-fluoro-4-methylphenyl)methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-(2-fluoro-4-methylphenyl)methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-(2-fluoro-4-methylphenyl)methylideneamino]-N-methylmethanamine is Cc1ccc(/C=N/N(C)C)c(F)c1.
What is the InChIKey of N-[(E)-(2-fluoro-4-methylphenyl)methylideneamino]-N-methylmethanamine?
The InChIKey is TZQUPRDRWSZUJI-KPKJPENVSA-N. The full InChI is InChI=1S/C10H13FN2/c1-8-4-5-9(10(11)6-8)7-12-13(2)3/h4-7H,1-3H3/b12-7+.
What are the key properties of N-[(E)-(2-fluoro-4-methylphenyl)methylideneamino]-N-methylmethanamine?
N-[(E)-(2-fluoro-4-methylphenyl)methylideneamino]-N-methylmethanamine has a molecular weight of 180.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluoro-4-methylphenyl)methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 121216092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).