N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine

C14H22N2 — CID 66181431

IUPACN-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine
SMILESCCc1ccccc1CN(CC)C1CNC1
InChIInChI=1S/C14H22N2/c1-3-12-7-5-6-8-13(12)11-16(4-2)14-9-15-10-14/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyPSEZQKGGTCCZAV-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.04
Rot. Bonds5

About N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine

N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine (PubChem CID 66181431) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine
PubChem CID66181431
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine
SMILESCCc1ccccc1CN(CC)C1CNC1
InChIInChI=1S/C14H22N2/c1-3-12-7-5-6-8-13(12)11-16(4-2)14-9-15-10-14/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyPSEZQKGGTCCZAV-UHFFFAOYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine
CID 66181429
N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine
CID 66182713
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
N-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine
CID 113420161
N-[(2,6-dichlorophenyl)methyl]-N-ethylazetidin-3-amine
CID 66182519
N-ethyl-N-[(5-ethylthiophen-2-yl)methyl]azetidin-3-amine
CID 66184438
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclopropanamine
CID 43263914
N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63299763
N-ethyl-N-(2-phenylethyl)azetidin-3-amine
CID 66182276
N-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine
CID 55247967
2-[azetidin-3-yl(ethyl)amino]-N-benzyl-N-methylacetamide
CID 66181525
2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol
CID 66182943

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine?
The IUPAC name of N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine (CID 66181431) is N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine.
What is the SMILES notation for N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine?
The canonical SMILES for N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine is CCc1ccccc1CN(CC)C1CNC1.
What is the InChIKey of N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine?
The InChIKey is PSEZQKGGTCCZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-12-7-5-6-8-13(12)11-16(4-2)14-9-15-10-14/h5-8,14-15H,3-4,9-11H2,1-2H3.
What are the key properties of N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine?
N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine has a molecular weight of 218.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine is sourced from PubChem (CID 66181431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).