4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride

C11H16Cl2N2 — CID 171197440

IUPAC4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride
SMILESCN(C)c1ccc([C@H]2CCN2)c(Cl)c1.Cl
InChIInChI=1S/C11H15ClN2.ClH/c1-14(2)8-3-4-9(10(12)7-8)11-5-6-13-11;/h3-4,7,11,13H,5-6H2,1-2H3;1H/t11-;/m1./s1
InChIKeyVGBKYBLLCVJWEE-RFVHGSKJSA-N
MW247.17 g/mol
LogP2.86
Rot. Bonds2

About 4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride

4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride (PubChem CID 171197440) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride.

Molecular Properties

Compound Name4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride
PubChem CID171197440
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride
SMILESCN(C)c1ccc([C@H]2CCN2)c(Cl)c1.Cl
InChIInChI=1S/C11H15ClN2.ClH/c1-14(2)8-3-4-9(10(12)7-8)11-5-6-13-11;/h3-4,7,11,13H,5-6H2,1-2H3;1H/t11-;/m1./s1
InChIKeyVGBKYBLLCVJWEE-RFVHGSKJSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-chloro-4-methylphenyl)azetidine
CID 130738844
4-[(2R)-azetidin-2-yl]-3-chlorophenol
CID 130700334
(2S)-2-(4-bromo-2-chlorophenyl)azetidine
CID 130624540
(2R)-2-(4-chloro-2-methylphenyl)azetidine
CID 130665012
(4S)-4-[2-chloro-4-(dimethylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188618
3-chloro-4-[(2S)-2,3-dihydro-1,3-benzoxazol-2-yl]-N,N-dimethylaniline
CID 6929827
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
2-(2,4-dichlorophenyl)azepane;hydrochloride
CID 17389702
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
(2R)-2-(4-bromo-2-chlorophenyl)pyrrolidine;hydrochloride
CID 171195907
4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride
CID 171196638
(2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 6924605

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride?
The IUPAC name of 4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride (CID 171197440) is 4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride.
What is the SMILES notation for 4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride?
The canonical SMILES for 4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride is CN(C)c1ccc([C@H]2CCN2)c(Cl)c1.Cl.
What is the InChIKey of 4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride?
The InChIKey is VGBKYBLLCVJWEE-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H15ClN2.ClH/c1-14(2)8-3-4-9(10(12)7-8)11-5-6-13-11;/h3-4,7,11,13H,5-6H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of 4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride?
4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride has a molecular weight of 247.17 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride is sourced from PubChem (CID 171197440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).