N-(2-chloro-6-methylphenyl)oxetan-3-amine

C10H12ClNO — CID 66252135

IUPACN-(2-chloro-6-methylphenyl)oxetan-3-amine
SMILESCc1cccc(Cl)c1NC1COC1
InChIInChI=1S/C10H12ClNO/c1-7-3-2-4-9(11)10(7)12-8-5-13-6-8/h2-4,8,12H,5-6H2,1H3
InChIKeyXYGVBIFGOQRLAB-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.46
Rot. Bonds2

About N-(2-chloro-6-methylphenyl)oxetan-3-amine

N-(2-chloro-6-methylphenyl)oxetan-3-amine (PubChem CID 66252135) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)oxetan-3-amine.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)oxetan-3-amine
PubChem CID66252135
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC NameN-(2-chloro-6-methylphenyl)oxetan-3-amine
SMILESCc1cccc(Cl)c1NC1COC1
InChIInChI=1S/C10H12ClNO/c1-7-3-2-4-9(11)10(7)12-8-5-13-6-8/h2-4,8,12H,5-6H2,1H3
InChIKeyXYGVBIFGOQRLAB-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904002
5-chloro-N-(2-chloro-6-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349107
N-(2-methylphenyl)oxetan-3-amine
CID 63624753
2-chloro-6-methyl-N-(oxan-4-ylmethyl)aniline
CID 66253970
2-(2-chloro-6-methylanilino)cycloheptan-1-ol
CID 66253473
N-(2-chloro-6-fluorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106659054
N-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine
CID 66251857
2-(2-chloro-6-methylanilino)cyclohexane-1-carbonitrile
CID 66253476
2,6-dichloro-N-cyclohexylaniline
CID 65469917
N,N'-bis(2-chloro-6-methylphenyl)methanediamine
CID 22450713
2-chloro-N-(1-cyclopentylethyl)-6-methylaniline
CID 66252662
2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 66251667

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)oxetan-3-amine?
The IUPAC name of N-(2-chloro-6-methylphenyl)oxetan-3-amine (CID 66252135) is N-(2-chloro-6-methylphenyl)oxetan-3-amine.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)oxetan-3-amine?
The canonical SMILES for N-(2-chloro-6-methylphenyl)oxetan-3-amine is Cc1cccc(Cl)c1NC1COC1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)oxetan-3-amine?
The InChIKey is XYGVBIFGOQRLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-7-3-2-4-9(11)10(7)12-8-5-13-6-8/h2-4,8,12H,5-6H2,1H3.
What are the key properties of N-(2-chloro-6-methylphenyl)oxetan-3-amine?
N-(2-chloro-6-methylphenyl)oxetan-3-amine has a molecular weight of 197.66 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)oxetan-3-amine is sourced from PubChem (CID 66252135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).