(3S)-1-benzhydryl-3-methoxy-2-methylazetidine

C18H21NO — CID 71241122

IUPAC(3S)-1-benzhydryl-3-methoxy-2-methylazetidine
SMILESCO[C@H]1CN(C(c2ccccc2)c2ccccc2)C1C
InChIInChI=1S/C18H21NO/c1-14-17(20-2)13-19(14)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17-18H,13H2,1-2H3/t14?,17-/m0/s1
InChIKeyOXRRIKAFWKJONT-JRZJBTRGSA-N
MW267.37 g/mol
LogP3.50
Rot. Bonds4

About (3S)-1-benzhydryl-3-methoxy-2-methylazetidine

(3S)-1-benzhydryl-3-methoxy-2-methylazetidine (PubChem CID 71241122) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (3S)-1-benzhydryl-3-methoxy-2-methylazetidine.

Molecular Properties

Compound Name(3S)-1-benzhydryl-3-methoxy-2-methylazetidine
PubChem CID71241122
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(3S)-1-benzhydryl-3-methoxy-2-methylazetidine
SMILESCO[C@H]1CN(C(c2ccccc2)c2ccccc2)C1C
InChIInChI=1S/C18H21NO/c1-14-17(20-2)13-19(14)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17-18H,13H2,1-2H3/t14?,17-/m0/s1
InChIKeyOXRRIKAFWKJONT-JRZJBTRGSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzhydryl-3-methoxy-2-methylazetidine?
The IUPAC name of (3S)-1-benzhydryl-3-methoxy-2-methylazetidine (CID 71241122) is (3S)-1-benzhydryl-3-methoxy-2-methylazetidine.
What is the SMILES notation for (3S)-1-benzhydryl-3-methoxy-2-methylazetidine?
The canonical SMILES for (3S)-1-benzhydryl-3-methoxy-2-methylazetidine is CO[C@H]1CN(C(c2ccccc2)c2ccccc2)C1C.
What is the InChIKey of (3S)-1-benzhydryl-3-methoxy-2-methylazetidine?
The InChIKey is OXRRIKAFWKJONT-JRZJBTRGSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-17(20-2)13-19(14)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17-18H,13H2,1-2H3/t14?,17-/m0/s1.
What are the key properties of (3S)-1-benzhydryl-3-methoxy-2-methylazetidine?
(3S)-1-benzhydryl-3-methoxy-2-methylazetidine has a molecular weight of 267.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzhydryl-3-methoxy-2-methylazetidine is sourced from PubChem (CID 71241122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).