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

C15H24N2O — CID 66214496

IUPACN-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine
SMILESCCCN(CCOc1cccc(C)c1)C1CNC1
InChIInChI=1S/C15H24N2O/c1-3-7-17(14-11-16-12-14)8-9-18-15-6-4-5-13(2)10-15/h4-6,10,14,16H,3,7-9,11-12H2,1-2H3
InChIKeyPTLOOAGQCCGCBN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.06
Rot. Bonds7

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

N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine (PubChem CID 66214496) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine
PubChem CID66214496
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine
SMILESCCCN(CCOc1cccc(C)c1)C1CNC1
InChIInChI=1S/C15H24N2O/c1-3-7-17(14-11-16-12-14)8-9-18-15-6-4-5-13(2)10-15/h4-6,10,14,16H,3,7-9,11-12H2,1-2H3
InChIKeyPTLOOAGQCCGCBN-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine
CID 60806318
N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119922769
N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine
CID 66184588
3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 60807030
N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine
CID 63301419
N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66214909
N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine
CID 5262030
N-(2-phenoxyethyl)-N-propylpiperidin-4-amine
CID 60807688
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine
CID 43270084
N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66216702
2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide
CID 60802291
N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300619

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine (CID 66214496) is N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine is CCCN(CCOc1cccc(C)c1)C1CNC1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine?
The InChIKey is PTLOOAGQCCGCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-7-17(14-11-16-12-14)8-9-18-15-6-4-5-13(2)10-15/h4-6,10,14,16H,3,7-9,11-12H2,1-2H3.
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine?
N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine is sourced from PubChem (CID 66214496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).