N-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine

C12H18N2O — CID 110337853

IUPACN-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine
SMILESCCCOc1ccc(/C=N/N(C)C)cc1
InChIInChI=1S/C12H18N2O/c1-4-9-15-12-7-5-11(6-8-12)10-13-14(2)3/h5-8,10H,4,9H2,1-3H3/b13-10+
InChIKeyLHFBFPVFRVZUES-JLHYYAGUSA-N
MW206.29 g/mol
LogP2.37
Rot. Bonds5

About N-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine

N-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine (PubChem CID 110337853) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine
PubChem CID110337853
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine
SMILESCCCOc1ccc(/C=N/N(C)C)cc1
InChIInChI=1S/C12H18N2O/c1-4-9-15-12-7-5-11(6-8-12)10-13-14(2)3/h5-8,10H,4,9H2,1-3H3/b13-10+
InChIKeyLHFBFPVFRVZUES-JLHYYAGUSA-N
XLogP2.37
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]methanamine
CID 110340427
N-[(E)-(3-bromo-4-propoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110507419
N-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline
CID 143565465
1-(4-methoxyphenyl)-N-(4-propoxyphenyl)methanimine
CID 71354195
N-methyl-N-[(E)-[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110339767
1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1-[(4-propoxyphenyl)methyl]thiourea
CID 20845002
4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110505467
2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110839992
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline
CID 4188991
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
[(E)-(4-propoxyphenyl)methylideneamino]thiourea
CID 6881283

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine (CID 110337853) is N-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine is CCCOc1ccc(/C=N/N(C)C)cc1.
What is the InChIKey of N-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine?
The InChIKey is LHFBFPVFRVZUES-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-9-15-12-7-5-11(6-8-12)10-13-14(2)3/h5-8,10H,4,9H2,1-3H3/b13-10+.
What are the key properties of N-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine?
N-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine has a molecular weight of 206.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine is sourced from PubChem (CID 110337853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).