(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-chlorophenyl)methanamine

C23H23ClN2 — CID 10150260

IUPAC(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-chlorophenyl)methanamine
SMILESN[C@@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23ClN2/c24-20-13-7-12-19(16-20)22(25)21-14-15-26(21)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21-23H,14-15,25H2/t21-,22-/m0/s1
InChIKeyVLYDOPDGRZIDMW-VXKWHMMOSA-N
MW362.90 g/mol
LogP5.20
Rot. Bonds5

About (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-chlorophenyl)methanamine

(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-chlorophenyl)methanamine (PubChem CID 10150260) has the molecular formula C23H23ClN2 and a molecular weight of 362.90 g/mol. Its IUPAC name is (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-chlorophenyl)methanamine.

Molecular Properties

Compound Name(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-chlorophenyl)methanamine
PubChem CID10150260
Molecular FormulaC23H23ClN2
Molecular Weight362.90 g/mol
Exact Mass362.15
IUPAC Name(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-chlorophenyl)methanamine
SMILESN[C@@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23ClN2/c24-20-13-7-12-19(16-20)22(25)21-14-15-26(21)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21-23H,14-15,25H2/t21-,22-/m0/s1
InChIKeyVLYDOPDGRZIDMW-VXKWHMMOSA-N
XLogP5.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.90
LogP ≤ 55.20
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-chlorophenyl)methanamine?
The IUPAC name of (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-chlorophenyl)methanamine (CID 10150260) is (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-chlorophenyl)methanamine.
What is the SMILES notation for (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-chlorophenyl)methanamine?
The canonical SMILES for (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-chlorophenyl)methanamine is N[C@@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-chlorophenyl)methanamine?
The InChIKey is VLYDOPDGRZIDMW-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H23ClN2/c24-20-13-7-12-19(16-20)22(25)21-14-15-26(21)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21-23H,14-15,25H2/t21-,22-/m0/s1.
What are the key properties of (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-chlorophenyl)methanamine?
(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-chlorophenyl)methanamine has a molecular weight of 362.90 g/mol, XLogP of 5.20, 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-chlorophenyl)methanamine is sourced from PubChem (CID 10150260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).