3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol

C20H26N2O2 — CID 166338701

IUPAC3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol
SMILESCCCC(NCC1(O)CNC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-2-6-19(22-15-20(23)13-21-14-20)16-9-11-18(12-10-16)24-17-7-4-3-5-8-17/h3-5,7-12,19,21-23H,2,6,13-15H2,1H3
InChIKeyWRPRBQJBJHEPCR-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.24
Rot. Bonds8

About 3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol

3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol (PubChem CID 166338701) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol.

Molecular Properties

Compound Name3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol
PubChem CID166338701
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol
SMILESCCCC(NCC1(O)CNC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-2-6-19(22-15-20(23)13-21-14-20)16-9-11-18(12-10-16)24-17-7-4-3-5-8-17/h3-5,7-12,19,21-23H,2,6,13-15H2,1H3
InChIKeyWRPRBQJBJHEPCR-UHFFFAOYSA-N
XLogP3.24
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(4-phenoxyphenyl)butylamino]methyl]cyclopentane-1-carbonitrile
CID 166338651
N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 19069357
(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 54006451
4-[(1-phenylbutylamino)methyl]oxan-4-ol
CID 81130769
4-[1-(4-phenoxyphenyl)butylamino]adamantan-1-ol
CID 166357962
N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline
CID 4712113
N-ethyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43489604
3-cyclopropyl-2-[1-(4-phenoxyphenyl)butylamino]propan-1-ol
CID 166338668
1-(4-phenoxyphenyl)-N-(3-pyrazol-1-ylpropyl)butan-1-amine
CID 166338628
N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-1-(4-phenoxyphenyl)butan-1-amine
CID 167829497
N-[2-(5-methyltetrazol-2-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine
CID 166383130
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine
CID 103903827

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol?
The IUPAC name of 3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol (CID 166338701) is 3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol.
What is the SMILES notation for 3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol?
The canonical SMILES for 3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol is CCCC(NCC1(O)CNC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol?
The InChIKey is WRPRBQJBJHEPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-6-19(22-15-20(23)13-21-14-20)16-9-11-18(12-10-16)24-17-7-4-3-5-8-17/h3-5,7-12,19,21-23H,2,6,13-15H2,1H3.
What are the key properties of 3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol?
3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol has a molecular weight of 326.44 g/mol, XLogP of 3.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol is sourced from PubChem (CID 166338701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).