N-[(Z)-(4-chlorophenyl)methylideneamino]-N-methylmethanamine

C9H11ClN2 — CID 5374885

IUPACN-[(Z)-(4-chlorophenyl)methylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2/c1-12(2)11-7-8-3-5-9(10)6-4-8/h3-7H,1-2H3/b11-7-
InChIKeyJWRGEPOIPOSDQN-XFFZJAGNSA-N
MW182.65 g/mol
LogP2.24
Rot. Bonds2

About N-[(Z)-(4-chlorophenyl)methylideneamino]-N-methylmethanamine

N-[(Z)-(4-chlorophenyl)methylideneamino]-N-methylmethanamine (PubChem CID 5374885) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is N-[(Z)-(4-chlorophenyl)methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(Z)-(4-chlorophenyl)methylideneamino]-N-methylmethanamine
PubChem CID5374885
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC NameN-[(Z)-(4-chlorophenyl)methylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2/c1-12(2)11-7-8-3-5-9(10)6-4-8/h3-7H,1-2H3/b11-7-
InChIKeyJWRGEPOIPOSDQN-XFFZJAGNSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.24
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-[(Z)-(4-chlorophenyl)methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-N-methylmethanamine (CID 5374885) is N-[(Z)-(4-chlorophenyl)methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(Z)-(4-chlorophenyl)methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(Z)-(4-chlorophenyl)methylideneamino]-N-methylmethanamine is CN(C)/N=C\c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-(4-chlorophenyl)methylideneamino]-N-methylmethanamine?
The InChIKey is JWRGEPOIPOSDQN-XFFZJAGNSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-12(2)11-7-8-3-5-9(10)6-4-8/h3-7H,1-2H3/b11-7-.
What are the key properties of N-[(Z)-(4-chlorophenyl)methylideneamino]-N-methylmethanamine?
N-[(Z)-(4-chlorophenyl)methylideneamino]-N-methylmethanamine has a molecular weight of 182.65 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-chlorophenyl)methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 5374885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).