(1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine

C20H26N2 — CID 101385103

IUPAC(1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)[C@H]1[C@H](c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C20H26N2/c1-15(2)19(21)20-18(17-11-7-4-8-12-17)14-22(20)13-16-9-5-3-6-10-16/h3-12,15,18-20H,13-14,21H2,1-2H3/t18-,19-,20+/m0/s1
InChIKeyBNVAJLGBONMPOP-SLFFLAALSA-N
MW294.44 g/mol
LogP3.64
Rot. Bonds5

About (1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine

(1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine (PubChem CID 101385103) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine
PubChem CID101385103
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name(1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)[C@H]1[C@H](c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C20H26N2/c1-15(2)19(21)20-18(17-11-7-4-8-12-17)14-22(20)13-16-9-5-3-6-10-16/h3-12,15,18-20H,13-14,21H2,1-2H3/t18-,19-,20+/m0/s1
InChIKeyBNVAJLGBONMPOP-SLFFLAALSA-N
XLogP3.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine
CID 101250941
1-(1-benzyl-3-phenylazetidin-2-yl)ethanone
CID 86209046
(3aR,4R,6aS)-5-benzyl-2-methyl-4-propan-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129499498
1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine
CID 82390240
[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]methyl methanesulfonate
CID 101250953
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
(3S,3aR,6aS)-2-benzyl-5-phenyl-3-propan-2-yl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 15305455
(1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine
CID 82380060
(1S)-1-[(2R,3R,4S)-1-benzyl-4-methyl-3-phenylazetidin-2-yl]ethanamine
CID 101367368
(2R,3S,6R)-5-benzyl-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 56865189
(E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol
CID 101349406
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine (CID 101385103) is (1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine is CC(C)[C@H](N)[C@H]1[C@H](c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of (1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine?
The InChIKey is BNVAJLGBONMPOP-SLFFLAALSA-N. The full InChI is InChI=1S/C20H26N2/c1-15(2)19(21)20-18(17-11-7-4-8-12-17)14-22(20)13-16-9-5-3-6-10-16/h3-12,15,18-20H,13-14,21H2,1-2H3/t18-,19-,20+/m0/s1.
What are the key properties of (1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine?
(1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 101385103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).