N-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine

C17H18ClFN2O2 — CID 110340270

IUPACN-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
SMILESCOc1cccc(/C=N/N(C)C)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C17H18ClFN2O2/c1-21(2)20-10-12-6-4-9-16(22-3)17(12)23-11-13-14(18)7-5-8-15(13)19/h4-10H,11H2,1-3H3/b20-10+
InChIKeyLAHLVYKDALVQEP-KEBDBYFISA-N
MW336.79 g/mol
LogP3.96
Rot. Bonds6

About N-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine

N-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine (PubChem CID 110340270) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is N-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
PubChem CID110340270
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC NameN-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
SMILESCOc1cccc(/C=N/N(C)C)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C17H18ClFN2O2/c1-21(2)20-10-12-6-4-9-16(22-3)17(12)23-11-13-14(18)7-5-8-15(13)19/h4-10H,11H2,1-3H3/b20-10+
InChIKeyLAHLVYKDALVQEP-KEBDBYFISA-N
XLogP3.96
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[(E)-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
CID 110339244
N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
CID 110339208
N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680693
3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866459
6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde
CID 66529281
3-chloro-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylaniline
CID 110842416
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680932
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20984774
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42304835
(NE)-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42302807
(Z)-3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 29039274
2-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252897

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine (CID 110340270) is N-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine is COc1cccc(/C=N/N(C)C)c1OCc1c(F)cccc1Cl.
What is the InChIKey of N-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine?
The InChIKey is LAHLVYKDALVQEP-KEBDBYFISA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c1-21(2)20-10-12-6-4-9-16(22-3)17(12)23-11-13-14(18)7-5-8-15(13)19/h4-10H,11H2,1-3H3/b20-10+.
What are the key properties of N-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine?
N-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine has a molecular weight of 336.79 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 110340270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).