1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine

C14H13BrFNO — CID 64974568

IUPAC1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine
SMILESFc1ccc(CNOCc2ccccc2)cc1Br
InChIInChI=1S/C14H13BrFNO/c15-13-8-12(6-7-14(13)16)9-17-18-10-11-4-2-1-3-5-11/h1-8,17H,9-10H2
InChIKeyPVELVFTXNXLHHS-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.81
Rot. Bonds5

About 1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine

1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine (PubChem CID 64974568) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine
PubChem CID64974568
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine
SMILESFc1ccc(CNOCc2ccccc2)cc1Br
InChIInChI=1S/C14H13BrFNO/c15-13-8-12(6-7-14(13)16)9-17-18-10-11-4-2-1-3-5-11/h1-8,17H,9-10H2
InChIKeyPVELVFTXNXLHHS-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine
CID 82709496
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
4-(benzylsulfanylmethyl)-2-bromo-1-fluorobenzene
CID 63458736
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine
CID 113341793
N-[(3-bromo-4-fluorophenyl)methyl]-3-phenoxypropan-1-amine
CID 60691659
N-[(3-bromo-4-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 43222005
N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672204
2-fluoro-6-[(phenylmethoxyamino)methyl]phenol
CID 82622904
4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide
CID 64974498
1-(3-ethoxyphenyl)-N-phenylmethoxymethanamine
CID 82708969
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine
CID 117493046
2-bromo-1-fluoro-4-[(1-phenylcyclopropyl)methoxymethyl]benzene
CID 13488439

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine (CID 64974568) is 1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine is Fc1ccc(CNOCc2ccccc2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine?
The InChIKey is PVELVFTXNXLHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-13-8-12(6-7-14(13)16)9-17-18-10-11-4-2-1-3-5-11/h1-8,17H,9-10H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine?
1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine has a molecular weight of 310.17 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 64974568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).