1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine

C15H16FNO2 — CID 117407186

IUPAC1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine
SMILESCONCc1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C15H16FNO2/c1-18-17-10-13-7-8-15(14(16)9-13)19-11-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3
InChIKeyNVNQCODHENLPHX-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.06
Rot. Bonds6

About 1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine

1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine (PubChem CID 117407186) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine
PubChem CID117407186
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine
SMILESCONCc1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C15H16FNO2/c1-18-17-10-13-7-8-15(14(16)9-13)19-11-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3
InChIKeyNVNQCODHENLPHX-UHFFFAOYSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine 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-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine
CID 107693258
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686491
3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 70863911
(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 93009968
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene
CID 107691820

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine (CID 117407186) is 1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine is CONCc1ccc(OCc2ccccc2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine?
The InChIKey is NVNQCODHENLPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-18-17-10-13-7-8-15(14(16)9-13)19-11-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3.
What are the key properties of 1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine?
1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine has a molecular weight of 261.30 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117407186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).