1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine

C16H15ClFNO2 — CID 90740148

IUPAC1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine
SMILESCOC=C(NOCc1ccccc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H15ClFNO2/c1-20-11-16(13-7-8-14(17)15(18)9-13)19-21-10-12-5-3-2-4-6-12/h2-9,11,19H,10H2,1H3
InChIKeyVXKOQFIGVMIYIP-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.15
Rot. Bonds6

About 1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine

1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine (PubChem CID 90740148) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine
PubChem CID90740148
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine
SMILESCOC=C(NOCc1ccccc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H15ClFNO2/c1-20-11-16(13-7-8-14(17)15(18)9-13)19-21-10-12-5-3-2-4-6-12/h2-9,11,19H,10H2,1H3
InChIKeyVXKOQFIGVMIYIP-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-phenylmethoxybut-1-en-1-amine
CID 90954616
3-(4-Chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole
CID 91115766
3-(4-chlorophenyl)-5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91137395
1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine
CID 91145559
1-(3-fluoro-4-methylphenyl)-2-methoxy-N-phenylmethoxyethenamine
CID 91608988
3-chloro-N-[(3-fluorophenyl)methoxy]aniline
CID 139940421
3-chloro-4-fluoro-N-phenylmethoxyaniline
CID 141235406
2-chloro-N-[(3-fluorophenyl)methoxy]aniline
CID 169732270
2-chloro-6-fluoro-N-phenylmethoxyaniline
CID 174450753
N-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 176400949
1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine
CID 82709496
1-(4-chloro-3-fluorophenyl)-N-phenylmethoxyethanamine
CID 83069553

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine (CID 90740148) is 1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine is COC=C(NOCc1ccccc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine?
The InChIKey is VXKOQFIGVMIYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-20-11-16(13-7-8-14(17)15(18)9-13)19-21-10-12-5-3-2-4-6-12/h2-9,11,19H,10H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine?
1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine has a molecular weight of 307.75 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine is sourced from PubChem (CID 90740148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).