1-[3-(aminomethyl)phenyl]-3-phenyl-N-(2-phenylethyl)propan-1-amine

C24H28N2 — CID 137483284

IUPAC1-[3-(aminomethyl)phenyl]-3-phenyl-N-(2-phenylethyl)propan-1-amine
SMILESNCc1cccc(C(CCc2ccccc2)NCCc2ccccc2)c1
InChIInChI=1S/C24H28N2/c25-19-22-12-7-13-23(18-22)24(15-14-20-8-3-1-4-9-20)26-17-16-21-10-5-2-6-11-21/h1-13,18,24,26H,14-17,19,25H2
InChIKeyZLHHXEHEFSWWFM-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.65
Rot. Bonds9

About 1-[3-(aminomethyl)phenyl]-3-phenyl-N-(2-phenylethyl)propan-1-amine

1-[3-(aminomethyl)phenyl]-3-phenyl-N-(2-phenylethyl)propan-1-amine (PubChem CID 137483284) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-phenyl-N-(2-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-phenyl-N-(2-phenylethyl)propan-1-amine
PubChem CID137483284
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name1-[3-(aminomethyl)phenyl]-3-phenyl-N-(2-phenylethyl)propan-1-amine
SMILESNCc1cccc(C(CCc2ccccc2)NCCc2ccccc2)c1
InChIInChI=1S/C24H28N2/c25-19-22-12-7-13-23(18-22)24(15-14-20-8-3-1-4-9-20)26-17-16-21-10-5-2-6-11-21/h1-13,18,24,26H,14-17,19,25H2
InChIKeyZLHHXEHEFSWWFM-UHFFFAOYSA-N
XLogP4.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-phenyl-N-(2-phenylethyl)propan-1-amine?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-phenyl-N-(2-phenylethyl)propan-1-amine (CID 137483284) is 1-[3-(aminomethyl)phenyl]-3-phenyl-N-(2-phenylethyl)propan-1-amine.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-phenyl-N-(2-phenylethyl)propan-1-amine?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-phenyl-N-(2-phenylethyl)propan-1-amine is NCc1cccc(C(CCc2ccccc2)NCCc2ccccc2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-phenyl-N-(2-phenylethyl)propan-1-amine?
The InChIKey is ZLHHXEHEFSWWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c25-19-22-12-7-13-23(18-22)24(15-14-20-8-3-1-4-9-20)26-17-16-21-10-5-2-6-11-21/h1-13,18,24,26H,14-17,19,25H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-phenyl-N-(2-phenylethyl)propan-1-amine?
1-[3-(aminomethyl)phenyl]-3-phenyl-N-(2-phenylethyl)propan-1-amine has a molecular weight of 344.50 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-3-phenyl-N-(2-phenylethyl)propan-1-amine is sourced from PubChem (CID 137483284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).