(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-fluoro-4-methylphenyl)methanamine

C24H25FN2 — CID 10172398

IUPAC(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1F
InChIInChI=1S/C24H25FN2/c1-17-12-13-20(16-21(17)25)23(26)22-14-15-27(22)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,22-24H,14-15,26H2,1H3/t22-,23-/m0/s1
InChIKeyWRBMJDRZZULRBX-GOTSBHOMSA-N
MW360.48 g/mol
LogP5.00
Rot. Bonds5

About (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-fluoro-4-methylphenyl)methanamine

(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-fluoro-4-methylphenyl)methanamine (PubChem CID 10172398) has the molecular formula C24H25FN2 and a molecular weight of 360.48 g/mol. Its IUPAC name is (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-fluoro-4-methylphenyl)methanamine
PubChem CID10172398
Molecular FormulaC24H25FN2
Molecular Weight360.48 g/mol
Exact Mass360.20
IUPAC Name(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1F
InChIInChI=1S/C24H25FN2/c1-17-12-13-20(16-21(17)25)23(26)22-14-15-27(22)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,22-24H,14-15,26H2,1H3/t22-,23-/m0/s1
InChIKeyWRBMJDRZZULRBX-GOTSBHOMSA-N
XLogP5.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-fluoro-4-methylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-fluoro-4-methylphenyl)methanamine?
The IUPAC name of (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-fluoro-4-methylphenyl)methanamine (CID 10172398) is (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-fluoro-4-methylphenyl)methanamine is Cc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1F.
What is the InChIKey of (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-fluoro-4-methylphenyl)methanamine?
The InChIKey is WRBMJDRZZULRBX-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H25FN2/c1-17-12-13-20(16-21(17)25)23(26)22-14-15-27(22)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,22-24H,14-15,26H2,1H3/t22-,23-/m0/s1.
What are the key properties of (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-fluoro-4-methylphenyl)methanamine?
(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-fluoro-4-methylphenyl)methanamine has a molecular weight of 360.48 g/mol, XLogP of 5.00, 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-fluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 10172398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).