1-(2-chlorophenyl)-N-phenylmethoxymethanamine

C14H14ClNO — CID 64974436

IUPAC1-(2-chlorophenyl)-N-phenylmethoxymethanamine
SMILESClc1ccccc1CNOCc1ccccc1
InChIInChI=1S/C14H14ClNO/c15-14-9-5-4-8-13(14)10-16-17-11-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKeyJRSAEGOTHOHXJT-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.56
Rot. Bonds5

About 1-(2-chlorophenyl)-N-phenylmethoxymethanamine

1-(2-chlorophenyl)-N-phenylmethoxymethanamine (PubChem CID 64974436) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-phenylmethoxymethanamine
PubChem CID64974436
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name1-(2-chlorophenyl)-N-phenylmethoxymethanamine
SMILESClc1ccccc1CNOCc1ccccc1
InChIInChI=1S/C14H14ClNO/c15-14-9-5-4-8-13(14)10-16-17-11-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKeyJRSAEGOTHOHXJT-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.56
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-phenylmethoxymethanamine (CID 64974436) is 1-(2-chlorophenyl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-phenylmethoxymethanamine is Clc1ccccc1CNOCc1ccccc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-phenylmethoxymethanamine?
The InChIKey is JRSAEGOTHOHXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-14-9-5-4-8-13(14)10-16-17-11-12-6-2-1-3-7-12/h1-9,16H,10-11H2.
What are the key properties of 1-(2-chlorophenyl)-N-phenylmethoxymethanamine?
1-(2-chlorophenyl)-N-phenylmethoxymethanamine has a molecular weight of 247.73 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 64974436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).