1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine

C11H15ClN2O — CID 63761103

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
SMILESCOc1ccc(Cl)cc1CN1CC(N)C1
InChIInChI=1S/C11H15ClN2O/c1-15-11-3-2-9(12)4-8(11)5-14-6-10(13)7-14/h2-4,10H,5-7,13H2,1H3
InChIKeyCEHGDZVEZKHWCR-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.49
Rot. Bonds3

About 1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine

1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine (PubChem CID 63761103) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
PubChem CID63761103
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
SMILESCOc1ccc(Cl)cc1CN1CC(N)C1
InChIInChI=1S/C11H15ClN2O/c1-15-11-3-2-9(12)4-8(11)5-14-6-10(13)7-14/h2-4,10H,5-7,13H2,1H3
InChIKeyCEHGDZVEZKHWCR-UHFFFAOYSA-N
XLogP1.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine
CID 114857925
1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
CID 65245032
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
(3S)-1-[(5-chloro-2-ethoxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 171624938
1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922028
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
(3S,4S)-1-[(5-chloro-2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953788
3-[(5-chloro-2-methoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927486
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
CID 63344190

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine (CID 63761103) is 1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine is COc1ccc(Cl)cc1CN1CC(N)C1.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine?
The InChIKey is CEHGDZVEZKHWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-15-11-3-2-9(12)4-8(11)5-14-6-10(13)7-14/h2-4,10H,5-7,13H2,1H3.
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine?
1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine has a molecular weight of 226.71 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine is sourced from PubChem (CID 63761103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).