(2R,3S)-1-benzhydryl-2,3-dimethylazetidin-3-amine

C18H22N2 — CID 10445650

IUPAC(2R,3S)-1-benzhydryl-2,3-dimethylazetidin-3-amine
SMILESC[C@H]1N(C(c2ccccc2)c2ccccc2)C[C@]1(C)N
InChIInChI=1S/C18H22N2/c1-14-18(2,19)13-20(14)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13,19H2,1-2H3/t14-,18+/m1/s1
InChIKeyIDKIQYZYGXDZNL-KDOFPFPSSA-N
MW266.39 g/mol
LogP3.20
Rot. Bonds3

About (2R,3S)-1-benzhydryl-2,3-dimethylazetidin-3-amine

(2R,3S)-1-benzhydryl-2,3-dimethylazetidin-3-amine (PubChem CID 10445650) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (2R,3S)-1-benzhydryl-2,3-dimethylazetidin-3-amine.

Molecular Properties

Compound Name(2R,3S)-1-benzhydryl-2,3-dimethylazetidin-3-amine
PubChem CID10445650
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(2R,3S)-1-benzhydryl-2,3-dimethylazetidin-3-amine
SMILESC[C@H]1N(C(c2ccccc2)c2ccccc2)C[C@]1(C)N
InChIInChI=1S/C18H22N2/c1-14-18(2,19)13-20(14)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13,19H2,1-2H3/t14-,18+/m1/s1
InChIKeyIDKIQYZYGXDZNL-KDOFPFPSSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-benzhydryl-2,3-dimethylazetidin-3-amine?
The IUPAC name of (2R,3S)-1-benzhydryl-2,3-dimethylazetidin-3-amine (CID 10445650) is (2R,3S)-1-benzhydryl-2,3-dimethylazetidin-3-amine.
What is the SMILES notation for (2R,3S)-1-benzhydryl-2,3-dimethylazetidin-3-amine?
The canonical SMILES for (2R,3S)-1-benzhydryl-2,3-dimethylazetidin-3-amine is C[C@H]1N(C(c2ccccc2)c2ccccc2)C[C@]1(C)N.
What is the InChIKey of (2R,3S)-1-benzhydryl-2,3-dimethylazetidin-3-amine?
The InChIKey is IDKIQYZYGXDZNL-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H22N2/c1-14-18(2,19)13-20(14)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13,19H2,1-2H3/t14-,18+/m1/s1.
What are the key properties of (2R,3S)-1-benzhydryl-2,3-dimethylazetidin-3-amine?
(2R,3S)-1-benzhydryl-2,3-dimethylazetidin-3-amine has a molecular weight of 266.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-benzhydryl-2,3-dimethylazetidin-3-amine is sourced from PubChem (CID 10445650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).