N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine

C15H24N2O — CID 66184588

IUPACN-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(Cc1cccc(OCC)c1)C1CNC1
InChIInChI=1S/C15H24N2O/c1-3-8-17(14-10-16-11-14)12-13-6-5-7-15(9-13)18-4-2/h5-7,9,14,16H,3-4,8,10-12H2,1-2H3
InChIKeyNMXKXKKGJNVFLY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.27
Rot. Bonds7

About N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine

N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine (PubChem CID 66184588) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine
PubChem CID66184588
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(Cc1cccc(OCC)c1)C1CNC1
InChIInChI=1S/C15H24N2O/c1-3-8-17(14-10-16-11-14)12-13-6-5-7-15(9-13)18-4-2/h5-7,9,14,16H,3-4,8,10-12H2,1-2H3
InChIKeyNMXKXKKGJNVFLY-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300619
N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine
CID 63636894
N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine
CID 39396373
N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine
CID 66214496
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-propylazetidin-3-amine
CID 66183064
3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63301041
2-[azetidin-3-yl(propyl)amino]-N-[(3-methoxyphenyl)methyl]acetamide
CID 66216515
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine
CID 66181570
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
(4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9169656
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine
CID 43270084
N-[(3-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921376

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine (CID 66184588) is N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine is CCCN(Cc1cccc(OCC)c1)C1CNC1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine?
The InChIKey is NMXKXKKGJNVFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-8-17(14-10-16-11-14)12-13-6-5-7-15(9-13)18-4-2/h5-7,9,14,16H,3-4,8,10-12H2,1-2H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine?
N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine is sourced from PubChem (CID 66184588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).