2-[4-(3-propan-2-ylazetidin-1-yl)phenoxy]ethanamine

C14H22N2O — CID 79686885

IUPAC2-[4-(3-propan-2-ylazetidin-1-yl)phenoxy]ethanamine
SMILESCC(C)C1CN(c2ccc(OCCN)cc2)C1
InChIInChI=1S/C14H22N2O/c1-11(2)12-9-16(10-12)13-3-5-14(6-4-13)17-8-7-15/h3-6,11-12H,7-10,15H2,1-2H3
InChIKeyWUPVDDJKZLTASN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.12
Rot. Bonds5

About 2-[4-(3-propan-2-ylazetidin-1-yl)phenoxy]ethanamine

2-[4-(3-propan-2-ylazetidin-1-yl)phenoxy]ethanamine (PubChem CID 79686885) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[4-(3-propan-2-ylazetidin-1-yl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-(3-propan-2-ylazetidin-1-yl)phenoxy]ethanamine
PubChem CID79686885
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[4-(3-propan-2-ylazetidin-1-yl)phenoxy]ethanamine
SMILESCC(C)C1CN(c2ccc(OCCN)cc2)C1
InChIInChI=1S/C14H22N2O/c1-11(2)12-9-16(10-12)13-3-5-14(6-4-13)17-8-7-15/h3-6,11-12H,7-10,15H2,1-2H3
InChIKeyWUPVDDJKZLTASN-UHFFFAOYSA-N
XLogP2.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
4-(3-propan-2-ylazetidin-1-yl)benzaldehyde
CID 106913645
2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine
CID 96687258
2-[4-(2-methylpropyl)phenoxy]ethanamine
CID 96670599
1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine
CID 146327708
1-(4-propoxyphenyl)pyrrolidin-3-amine
CID 62329191
[2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol
CID 104549192
4-(2-aminoethoxy)-N-pentan-2-ylaniline
CID 107886099
2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine
CID 115040366
2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone
CID 126426546
2-[4-(5-methyltetrazol-1-yl)phenoxy]ethanamine
CID 82512738
1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione
CID 43437363

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-propan-2-ylazetidin-1-yl)phenoxy]ethanamine?
The IUPAC name of 2-[4-(3-propan-2-ylazetidin-1-yl)phenoxy]ethanamine (CID 79686885) is 2-[4-(3-propan-2-ylazetidin-1-yl)phenoxy]ethanamine.
What is the SMILES notation for 2-[4-(3-propan-2-ylazetidin-1-yl)phenoxy]ethanamine?
The canonical SMILES for 2-[4-(3-propan-2-ylazetidin-1-yl)phenoxy]ethanamine is CC(C)C1CN(c2ccc(OCCN)cc2)C1.
What is the InChIKey of 2-[4-(3-propan-2-ylazetidin-1-yl)phenoxy]ethanamine?
The InChIKey is WUPVDDJKZLTASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)12-9-16(10-12)13-3-5-14(6-4-13)17-8-7-15/h3-6,11-12H,7-10,15H2,1-2H3.
What are the key properties of 2-[4-(3-propan-2-ylazetidin-1-yl)phenoxy]ethanamine?
2-[4-(3-propan-2-ylazetidin-1-yl)phenoxy]ethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-propan-2-ylazetidin-1-yl)phenoxy]ethanamine is sourced from PubChem (CID 79686885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).