1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine

C18H22N2O — CID 65245145

IUPAC1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine
SMILESCC(c1ccc(OCc2ccccc2)cc1)N1CC(N)C1
InChIInChI=1S/C18H22N2O/c1-14(20-11-17(19)12-20)16-7-9-18(10-8-16)21-13-15-5-3-2-4-6-15/h2-10,14,17H,11-13,19H2,1H3
InChIKeyMAYIOQFFGDQAAH-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.97
Rot. Bonds5

About 1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine

1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine (PubChem CID 65245145) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine
PubChem CID65245145
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine
SMILESCC(c1ccc(OCc2ccccc2)cc1)N1CC(N)C1
InChIInChI=1S/C18H22N2O/c1-14(20-11-17(19)12-20)16-7-9-18(10-8-16)21-13-15-5-3-2-4-6-15/h2-10,14,17H,11-13,19H2,1H3
InChIKeyMAYIOQFFGDQAAH-UHFFFAOYSA-N
XLogP2.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one
CID 167714155
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
(3R,4R,5S)-5-ethoxy-1-[(1R)-1-phenylethyl]-4-(4-phenylmethoxyphenyl)piperidin-3-ol
CID 11453244
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171230786
(R)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171211184
4-(4-phenylmethoxyphenyl)pentanenitrile
CID 83932950
(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171230778
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230787
2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine
CID 16642929
(1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171211172
(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine?
The IUPAC name of 1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine (CID 65245145) is 1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine.
What is the SMILES notation for 1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine?
The canonical SMILES for 1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine is CC(c1ccc(OCc2ccccc2)cc1)N1CC(N)C1.
What is the InChIKey of 1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine?
The InChIKey is MAYIOQFFGDQAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(20-11-17(19)12-20)16-7-9-18(10-8-16)21-13-15-5-3-2-4-6-15/h2-10,14,17H,11-13,19H2,1H3.
What are the key properties of 1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine?
1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine has a molecular weight of 282.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine is sourced from PubChem (CID 65245145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).