3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol

C14H22N2O — CID 71647998

IUPAC3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)C1CN(Cc2ccccc2)C1
InChIInChI=1S/C14H22N2O/c1-15-14(7-8-17)13-10-16(11-13)9-12-5-3-2-4-6-12/h2-6,13-15,17H,7-11H2,1H3
InChIKeyPQVDJYURGZXFJL-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.09
Rot. Bonds6

About 3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol

3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol (PubChem CID 71647998) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol
PubChem CID71647998
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)C1CN(Cc2ccccc2)C1
InChIInChI=1S/C14H22N2O/c1-15-14(7-8-17)13-10-16(11-13)9-12-5-3-2-4-6-12/h2-6,13-15,17H,7-11H2,1H3
InChIKeyPQVDJYURGZXFJL-UHFFFAOYSA-N
XLogP1.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol
CID 97174994
3-(1-benzylpiperidin-3-yl)-3-(ethylamino)propan-1-ol
CID 71635336
(3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol
CID 97169776
(3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol
CID 97169784
2-amino-2-(1-benzylazetidin-3-yl)ethanol
CID 83908918
(3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol
CID 97168737
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol
CID 97177449
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
CID 10443395

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol?
The IUPAC name of 3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol (CID 71647998) is 3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol is CNC(CCO)C1CN(Cc2ccccc2)C1.
What is the InChIKey of 3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol?
The InChIKey is PQVDJYURGZXFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-14(7-8-17)13-10-16(11-13)9-12-5-3-2-4-6-12/h2-6,13-15,17H,7-11H2,1H3.
What are the key properties of 3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol?
3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 71647998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).