1,3-bis[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]propan-2-ol

C25H34N2O3 — CID 167749267

IUPAC1,3-bis[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]propan-2-ol
SMILESCOc1ccc(CC2CCN2CC(O)CN2CCC2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H34N2O3/c1-29-24-7-3-19(4-8-24)15-21-11-13-26(21)17-23(28)18-27-14-12-22(27)16-20-5-9-25(30-2)10-6-20/h3-10,21-23,28H,11-18H2,1-2H3
InChIKeySSYBWXTWZQRMIQ-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.00
Rot. Bonds10

About 1,3-bis[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]propan-2-ol

1,3-bis[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]propan-2-ol (PubChem CID 167749267) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1,3-bis[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]propan-2-ol
PubChem CID167749267
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name1,3-bis[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]propan-2-ol
SMILESCOc1ccc(CC2CCN2CC(O)CN2CCC2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H34N2O3/c1-29-24-7-3-19(4-8-24)15-21-11-13-26(21)17-23(28)18-27-14-12-22(27)16-20-5-9-25(30-2)10-6-20/h3-10,21-23,28H,11-18H2,1-2H3
InChIKeySSYBWXTWZQRMIQ-UHFFFAOYSA-N
XLogP3.00
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide
CID 47280768
1-hydroxy-4-[(4-methoxyphenyl)methyl]piperidine
CID 122445485
2-[(4-methoxyphenyl)methyl]-1-methylazepane
CID 70599140
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
methyl 1-[2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47054026
(1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 10801648
methyl 3-cyano-3-[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]cyclobutane-1-carboxylate
CID 176564956
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol
CID 114337924
butan-2-one;1-ethyl-4-methoxybenzene;(2S)-2-ethyl-1-pentylazetidine
CID 156731865
1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol
CID 42919233
(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
CID 54146924
2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 13024939

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]propan-2-ol?
The IUPAC name of 1,3-bis[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]propan-2-ol (CID 167749267) is 1,3-bis[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]propan-2-ol.
What is the SMILES notation for 1,3-bis[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]propan-2-ol?
The canonical SMILES for 1,3-bis[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]propan-2-ol is COc1ccc(CC2CCN2CC(O)CN2CCC2Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 1,3-bis[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]propan-2-ol?
The InChIKey is SSYBWXTWZQRMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-29-24-7-3-19(4-8-24)15-21-11-13-26(21)17-23(28)18-27-14-12-22(27)16-20-5-9-25(30-2)10-6-20/h3-10,21-23,28H,11-18H2,1-2H3.
What are the key properties of 1,3-bis[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]propan-2-ol?
1,3-bis[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]propan-2-ol has a molecular weight of 410.56 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]propan-2-ol is sourced from PubChem (CID 167749267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).