azetidin-3-yl-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methanamine

C14H21ClN2O — CID 116935416

IUPACazetidin-3-yl-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methanamine
SMILESCOc1c(C)c(C)c(Cl)c(C)c1C(N)C1CNC1
InChIInChI=1S/C14H21ClN2O/c1-7-8(2)14(18-4)11(9(3)12(7)15)13(16)10-5-17-6-10/h10,13,17H,5-6,16H2,1-4H3
InChIKeyFZEKNKSSOWZDBC-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.49
Rot. Bonds3

About azetidin-3-yl-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methanamine

azetidin-3-yl-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methanamine (PubChem CID 116935416) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is azetidin-3-yl-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Nameazetidin-3-yl-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methanamine
PubChem CID116935416
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Nameazetidin-3-yl-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methanamine
SMILESCOc1c(C)c(C)c(Cl)c(C)c1C(N)C1CNC1
InChIInChI=1S/C14H21ClN2O/c1-7-8(2)14(18-4)11(9(3)12(7)15)13(16)10-5-17-6-10/h10,13,17H,5-6,16H2,1-4H3
InChIKeyFZEKNKSSOWZDBC-UHFFFAOYSA-N
XLogP2.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116830570
(3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935553
3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]azetidine
CID 116925360
1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N,N'-dimethylmethanediamine
CID 116954431
2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116868707
(2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine
CID 116935922
azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 116935348
(2R)-2-amino-2-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)ethanol
CID 66515838
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935315
1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene
CID 116964849
3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine
CID 117118006
2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one
CID 116915335

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methanamine?
The IUPAC name of azetidin-3-yl-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methanamine (CID 116935416) is azetidin-3-yl-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for azetidin-3-yl-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methanamine?
The canonical SMILES for azetidin-3-yl-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methanamine is COc1c(C)c(C)c(Cl)c(C)c1C(N)C1CNC1.
What is the InChIKey of azetidin-3-yl-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methanamine?
The InChIKey is FZEKNKSSOWZDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-7-8(2)14(18-4)11(9(3)12(7)15)13(16)10-5-17-6-10/h10,13,17H,5-6,16H2,1-4H3.
What are the key properties of azetidin-3-yl-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methanamine?
azetidin-3-yl-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methanamine has a molecular weight of 268.79 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 116935416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).