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

C24H26N2 — CID 10150001

IUPAC(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(4-methylphenyl)methanamine
SMILESCc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26N2/c1-18-12-14-19(15-13-18)23(25)22-16-17-26(22)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22-24H,16-17,25H2,1H3/t22-,23-/m0/s1
InChIKeyRKLNXNIBPFCLCX-GOTSBHOMSA-N
MW342.49 g/mol
LogP4.86
Rot. Bonds5

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

(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(4-methylphenyl)methanamine (PubChem CID 10150001) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(4-methylphenyl)methanamine
PubChem CID10150001
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(4-methylphenyl)methanamine
SMILESCc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26N2/c1-18-12-14-19(15-13-18)23(25)22-16-17-26(22)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22-24H,16-17,25H2,1H3/t22-,23-/m0/s1
InChIKeyRKLNXNIBPFCLCX-GOTSBHOMSA-N
XLogP4.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.86
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]-(4-methylphenyl)methanamine?
The IUPAC name of (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(4-methylphenyl)methanamine (CID 10150001) is (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(4-methylphenyl)methanamine.
What is the SMILES notation for (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(4-methylphenyl)methanamine?
The canonical SMILES for (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(4-methylphenyl)methanamine is Cc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(4-methylphenyl)methanamine?
The InChIKey is RKLNXNIBPFCLCX-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H26N2/c1-18-12-14-19(15-13-18)23(25)22-16-17-26(22)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22-24H,16-17,25H2,1H3/t22-,23-/m0/s1.
What are the key properties of (S)-[(2S)-1-benzhydrylazetidin-2-yl]-(4-methylphenyl)methanamine?
(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(4-methylphenyl)methanamine has a molecular weight of 342.49 g/mol, XLogP of 4.86, 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]-(4-methylphenyl)methanamine is sourced from PubChem (CID 10150001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).