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

C14H13ClFNO — CID 82709496

IUPAC1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine
SMILESFc1cc(CNOCc2ccccc2)ccc1Cl
InChIInChI=1S/C14H13ClFNO/c15-13-7-6-12(8-14(13)16)9-17-18-10-11-4-2-1-3-5-11/h1-8,17H,9-10H2
InChIKeyXFKAVDQTFJAKNL-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.70
Rot. Bonds5

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

1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine (PubChem CID 82709496) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine
PubChem CID82709496
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine
SMILESFc1cc(CNOCc2ccccc2)ccc1Cl
InChIInChI=1S/C14H13ClFNO/c15-13-7-6-12(8-14(13)16)9-17-18-10-11-4-2-1-3-5-11/h1-8,17H,9-10H2
InChIKeyXFKAVDQTFJAKNL-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.70
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-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine
CID 64974568
1-(4-ethylphenyl)-N-phenylmethoxymethanamine
CID 64974535
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine
CID 113341793
(2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922916
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylethanamine
CID 78950457
2-fluoro-6-[(phenylmethoxyamino)methyl]phenol
CID 82622904
1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine
CID 117407186
1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine
CID 82709471
N-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline
CID 63422009
N-phenylmethoxy-1-thiophen-3-ylmethanamine
CID 64974208
N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 82708959
1-(5-chlorofuran-2-yl)-N-phenylmethoxymethanamine
CID 82710324

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine (CID 82709496) is 1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine is Fc1cc(CNOCc2ccccc2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine?
The InChIKey is XFKAVDQTFJAKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-13-7-6-12(8-14(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-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine?
1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine has a molecular weight of 265.72 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 82709496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).