(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3,5-difluorophenyl)methanamine

C23H22F2N2 — CID 10286996

IUPAC(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3,5-difluorophenyl)methanamine
SMILESN[C@@H](c1cc(F)cc(F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22F2N2/c24-19-13-18(14-20(25)15-19)22(26)21-11-12-27(21)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-15,21-23H,11-12,26H2/t21-,22-/m0/s1
InChIKeySUUJWXLFHRQIRQ-VXKWHMMOSA-N
MW364.44 g/mol
LogP4.83
Rot. Bonds5

About (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3,5-difluorophenyl)methanamine

(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3,5-difluorophenyl)methanamine (PubChem CID 10286996) has the molecular formula C23H22F2N2 and a molecular weight of 364.44 g/mol. Its IUPAC name is (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3,5-difluorophenyl)methanamine.

Molecular Properties

Compound Name(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3,5-difluorophenyl)methanamine
PubChem CID10286996
Molecular FormulaC23H22F2N2
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3,5-difluorophenyl)methanamine
SMILESN[C@@H](c1cc(F)cc(F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22F2N2/c24-19-13-18(14-20(25)15-19)22(26)21-11-12-27(21)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-15,21-23H,11-12,26H2/t21-,22-/m0/s1
InChIKeySUUJWXLFHRQIRQ-VXKWHMMOSA-N
XLogP4.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3,5-difluorophenyl)methanamine?
The IUPAC name of (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3,5-difluorophenyl)methanamine (CID 10286996) is (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3,5-difluorophenyl)methanamine.
What is the SMILES notation for (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3,5-difluorophenyl)methanamine?
The canonical SMILES for (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3,5-difluorophenyl)methanamine is N[C@@H](c1cc(F)cc(F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3,5-difluorophenyl)methanamine?
The InChIKey is SUUJWXLFHRQIRQ-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H22F2N2/c24-19-13-18(14-20(25)15-19)22(26)21-11-12-27(21)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-15,21-23H,11-12,26H2/t21-,22-/m0/s1.
What are the key properties of (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3,5-difluorophenyl)methanamine?
(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3,5-difluorophenyl)methanamine has a molecular weight of 364.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3,5-difluorophenyl)methanamine is sourced from PubChem (CID 10286996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).