2-[2-ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine

C25H37NO — CID 54058444

IUPAC2-[2-ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine
SMILESCCc1c(C(C)(C)N)cc(CC(C)C)c(CC(C)C)c1Oc1ccccc1
InChIInChI=1S/C25H37NO/c1-8-21-23(25(6,7)26)16-19(14-17(2)3)22(15-18(4)5)24(21)27-20-12-10-9-11-13-20/h9-13,16-18H,8,14-15,26H2,1-7H3
InChIKeyLXYAXEAYHOULMG-UHFFFAOYSA-N
MW367.58 g/mol
LogP6.63
Rot. Bonds8

About 2-[2-ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine

2-[2-ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine (PubChem CID 54058444) has the molecular formula C25H37NO and a molecular weight of 367.58 g/mol. Its IUPAC name is 2-[2-ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name2-[2-ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine
PubChem CID54058444
Molecular FormulaC25H37NO
Molecular Weight367.58 g/mol
Exact Mass367.29
IUPAC Name2-[2-ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine
SMILESCCc1c(C(C)(C)N)cc(CC(C)C)c(CC(C)C)c1Oc1ccccc1
InChIInChI=1S/C25H37NO/c1-8-21-23(25(6,7)26)16-19(14-17(2)3)22(15-18(4)5)24(21)27-20-12-10-9-11-13-20/h9-13,16-18H,8,14-15,26H2,1-7H3
InChIKeyLXYAXEAYHOULMG-UHFFFAOYSA-N
XLogP6.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine 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 2-[2-ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine?
The IUPAC name of 2-[2-ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine (CID 54058444) is 2-[2-ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine.
What is the SMILES notation for 2-[2-ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine?
The canonical SMILES for 2-[2-ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine is CCc1c(C(C)(C)N)cc(CC(C)C)c(CC(C)C)c1Oc1ccccc1.
What is the InChIKey of 2-[2-ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine?
The InChIKey is LXYAXEAYHOULMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO/c1-8-21-23(25(6,7)26)16-19(14-17(2)3)22(15-18(4)5)24(21)27-20-12-10-9-11-13-20/h9-13,16-18H,8,14-15,26H2,1-7H3.
What are the key properties of 2-[2-ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine?
2-[2-ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine has a molecular weight of 367.58 g/mol, XLogP of 6.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine is sourced from PubChem (CID 54058444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).