3-(4-chlorophenyl)oxetan-3-amine;hydrochloride

C9H11Cl2NO — CID 46839946

IUPAC3-(4-chlorophenyl)oxetan-3-amine;hydrochloride
SMILESCl.NC1(c2ccc(Cl)cc2)COC1
InChIInChI=1S/C9H10ClNO.ClH/c10-8-3-1-7(2-4-8)9(11)5-12-6-9;/h1-4H,5-6,11H2;1H
InChIKeyDNVPDMXUPGYAPY-UHFFFAOYSA-N
MW220.10 g/mol
LogP1.95
Rot. Bonds1

About 3-(4-chlorophenyl)oxetan-3-amine;hydrochloride

3-(4-chlorophenyl)oxetan-3-amine;hydrochloride (PubChem CID 46839946) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 3-(4-chlorophenyl)oxetan-3-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)oxetan-3-amine;hydrochloride
PubChem CID46839946
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name3-(4-chlorophenyl)oxetan-3-amine;hydrochloride
SMILESCl.NC1(c2ccc(Cl)cc2)COC1
InChIInChI=1S/C9H10ClNO.ClH/c10-8-3-1-7(2-4-8)9(11)5-12-6-9;/h1-4H,5-6,11H2;1H
InChIKeyDNVPDMXUPGYAPY-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(4-chlorophenyl)-4-ethyl-5H-1,3-oxazol-2-amine
CID 59323708
(S)-4-(4-chloro-phenyl)-4-methyl-4,5-dihydro-oxazol-2-ylamine
CID 59323796
1-(4-Chlorophenyl)-2-methoxyethan-1-amine
CID 61552840
1-(3-Chlorophenyl)-2-methoxyethan-1-amine
CID 61808740
4-(4-Chlorophenyl)oxan-4-amine
CID 24273947
3-Phenyloxetan-3-amine hydrochloride
CID 53256980
3-Phenyloxetan-3-amine
CID 53256981
(R)-2-Amino-2-(4-chlorophenyl)ethanol hydrochloride
CID 67033243
2-Amino-2-(4-chlorophenyl)ethan-1-ol hydrochloride
CID 67033245
(S)-2-amino-2-(4-chlorophenyl)ethanol hydrochloride
CID 68729838
3-Amino-3-(4-chlorophenyl)cyclobutan-1-OL
CID 95498243
4-(2,4-Dichlorophenyl)oxan-4-amine
CID 24274122

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)oxetan-3-amine;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)oxetan-3-amine;hydrochloride (CID 46839946) is 3-(4-chlorophenyl)oxetan-3-amine;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)oxetan-3-amine;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)oxetan-3-amine;hydrochloride is Cl.NC1(c2ccc(Cl)cc2)COC1.
What is the InChIKey of 3-(4-chlorophenyl)oxetan-3-amine;hydrochloride?
The InChIKey is DNVPDMXUPGYAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO.ClH/c10-8-3-1-7(2-4-8)9(11)5-12-6-9;/h1-4H,5-6,11H2;1H.
What are the key properties of 3-(4-chlorophenyl)oxetan-3-amine;hydrochloride?
3-(4-chlorophenyl)oxetan-3-amine;hydrochloride has a molecular weight of 220.10 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)oxetan-3-amine;hydrochloride is sourced from PubChem (CID 46839946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).