N-benzyl-1-[3-[2-(tert-butylamino)ethyl]phenyl]-2-methylpropan-2-amine

C23H34N2 — CID 130410543

IUPACN-benzyl-1-[3-[2-(tert-butylamino)ethyl]phenyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1cccc(CC(C)(C)NCc2ccccc2)c1
InChIInChI=1S/C23H34N2/c1-22(2,3)24-15-14-19-12-9-13-21(16-19)17-23(4,5)25-18-20-10-7-6-8-11-20/h6-13,16,24-25H,14-15,17-18H2,1-5H3
InChIKeySOWHEUSMOMWCPZ-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.73
Rot. Bonds8

About N-benzyl-1-[3-[2-(tert-butylamino)ethyl]phenyl]-2-methylpropan-2-amine

N-benzyl-1-[3-[2-(tert-butylamino)ethyl]phenyl]-2-methylpropan-2-amine (PubChem CID 130410543) has the molecular formula C23H34N2 and a molecular weight of 338.54 g/mol. Its IUPAC name is N-benzyl-1-[3-[2-(tert-butylamino)ethyl]phenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-benzyl-1-[3-[2-(tert-butylamino)ethyl]phenyl]-2-methylpropan-2-amine
PubChem CID130410543
Molecular FormulaC23H34N2
Molecular Weight338.54 g/mol
Exact Mass338.27
IUPAC NameN-benzyl-1-[3-[2-(tert-butylamino)ethyl]phenyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1cccc(CC(C)(C)NCc2ccccc2)c1
InChIInChI=1S/C23H34N2/c1-22(2,3)24-15-14-19-12-9-13-21(16-19)17-23(4,5)25-18-20-10-7-6-8-11-20/h6-13,16,24-25H,14-15,17-18H2,1-5H3
InChIKeySOWHEUSMOMWCPZ-UHFFFAOYSA-N
XLogP4.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[3-[2-(tert-butylamino)ethyl]phenyl]-2-methylpropan-2-amine?
The IUPAC name of N-benzyl-1-[3-[2-(tert-butylamino)ethyl]phenyl]-2-methylpropan-2-amine (CID 130410543) is N-benzyl-1-[3-[2-(tert-butylamino)ethyl]phenyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-benzyl-1-[3-[2-(tert-butylamino)ethyl]phenyl]-2-methylpropan-2-amine?
The canonical SMILES for N-benzyl-1-[3-[2-(tert-butylamino)ethyl]phenyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1cccc(CC(C)(C)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-1-[3-[2-(tert-butylamino)ethyl]phenyl]-2-methylpropan-2-amine?
The InChIKey is SOWHEUSMOMWCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2/c1-22(2,3)24-15-14-19-12-9-13-21(16-19)17-23(4,5)25-18-20-10-7-6-8-11-20/h6-13,16,24-25H,14-15,17-18H2,1-5H3.
What are the key properties of N-benzyl-1-[3-[2-(tert-butylamino)ethyl]phenyl]-2-methylpropan-2-amine?
N-benzyl-1-[3-[2-(tert-butylamino)ethyl]phenyl]-2-methylpropan-2-amine has a molecular weight of 338.54 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3-[2-(tert-butylamino)ethyl]phenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 130410543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).