N-[(2-chlorophenyl)methyl]oxetan-3-amine

C10H12ClNO — CID 56604677

IUPACN-[(2-chlorophenyl)methyl]oxetan-3-amine
SMILESClc1ccccc1CNC1COC1
InChIInChI=1S/C10H12ClNO/c11-10-4-2-1-3-8(10)5-12-9-6-13-7-9/h1-4,9,12H,5-7H2
InChIKeyMWKLFUTXXQJRKZ-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.83
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]oxetan-3-amine

N-[(2-chlorophenyl)methyl]oxetan-3-amine (PubChem CID 56604677) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]oxetan-3-amine
PubChem CID56604677
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC NameN-[(2-chlorophenyl)methyl]oxetan-3-amine
SMILESClc1ccccc1CNC1COC1
InChIInChI=1S/C10H12ClNO/c11-10-4-2-1-3-8(10)5-12-9-6-13-7-9/h1-4,9,12H,5-7H2
InChIKeyMWKLFUTXXQJRKZ-UHFFFAOYSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chlorophenyl)methyl]oxetan-3-amine 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

2-(2-Chlorophenyl)-2-(morpholin-4-yl)ethylamine
CID 3847395
3-(((2-Chlorophenyl)methyl)amino)-1,1,1-trifluoro-2-propanol
CID 3820409
4-(2-Chlorobenzyl)morpholine
CID 782978
Benzylamine, 2,4-dichloro-N-(2-ethoxyethyl)-
CID 52317
(1-(2-Chlorophenyl)ethyl)(methyl)amine
CID 16783514
2-(2-Chlorophenyl)pyrrolidine
CID 3719582
2-(4-Chloro-benzylamino)-ethanol
CID 424452
N-(4-chlorobenzyl)-N-(3-ethoxypropyl)amine
CID 4550247
N-(2,4-dichlorobenzyl)-2-methoxyethanamine hydrochloride
CID 6460284
(2-Chloro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746786
N-[(2-chlorophenyl)methyl]cyclohexanamine
CID 4722373
((2-Chlorophenyl)methyl)(ethyl)amine
CID 4719439

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]oxetan-3-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]oxetan-3-amine (CID 56604677) is N-[(2-chlorophenyl)methyl]oxetan-3-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]oxetan-3-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]oxetan-3-amine is Clc1ccccc1CNC1COC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]oxetan-3-amine?
The InChIKey is MWKLFUTXXQJRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-10-4-2-1-3-8(10)5-12-9-6-13-7-9/h1-4,9,12H,5-7H2.
What are the key properties of N-[(2-chlorophenyl)methyl]oxetan-3-amine?
N-[(2-chlorophenyl)methyl]oxetan-3-amine has a molecular weight of 197.67 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]oxetan-3-amine is sourced from PubChem (CID 56604677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).