N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine

C14H21ClN2O — CID 66214909

IUPACN-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine
SMILESCCCN(CCOc1ccccc1Cl)C1CNC1
InChIInChI=1S/C14H21ClN2O/c1-2-7-17(12-10-16-11-12)8-9-18-14-6-4-3-5-13(14)15/h3-6,12,16H,2,7-11H2,1H3
InChIKeyLDNSTPDJLVOGCP-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.40
Rot. Bonds7

About N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine

N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine (PubChem CID 66214909) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine
PubChem CID66214909
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine
SMILESCCCN(CCOc1ccccc1Cl)C1CNC1
InChIInChI=1S/C14H21ClN2O/c1-2-7-17(12-10-16-11-12)8-9-18-14-6-4-3-5-13(14)15/h3-6,12,16H,2,7-11H2,1H3
InChIKeyLDNSTPDJLVOGCP-UHFFFAOYSA-N
XLogP2.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921660
N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66216702
N-[2-(2-fluorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66215915
N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922977
N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine
CID 66184304
2-[2-(2-chlorophenoxy)ethyl-cyclopentylamino]ethanol
CID 62014085
N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine
CID 66214496
N-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119933164
2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929847
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231269
N-(2-phenoxyethyl)-N-propylpiperidin-4-amine
CID 60807688
2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid
CID 54899208

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine (CID 66214909) is N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine is CCCN(CCOc1ccccc1Cl)C1CNC1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine?
The InChIKey is LDNSTPDJLVOGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-2-7-17(12-10-16-11-12)8-9-18-14-6-4-3-5-13(14)15/h3-6,12,16H,2,7-11H2,1H3.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine?
N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine has a molecular weight of 268.79 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine is sourced from PubChem (CID 66214909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).