lawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine

C19H33LrNO2 — CID 170640479

IUPAClawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine
SMILESCCCC(C)COc1ccc(C(C(C)N)C(C)(C)OC)cc1.[Lr]
InChIInChI=1S/C19H33NO2.Lr/c1-7-8-14(2)13-22-17-11-9-16(10-12-17)18(15(3)20)19(4,5)21-6;/h9-12,14-15,18H,7-8,13,20H2,1-6H3;
InChIKeyAZMVBBMSRWGNDU-UHFFFAOYSA-N
MW569.48 g/mol
LogP4.36
Rot. Bonds9

About lawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine

lawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine (PubChem CID 170640479) has the molecular formula C19H33LrNO2 and a molecular weight of 569.48 g/mol. Its IUPAC name is lawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine.

Molecular Properties

Compound Namelawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine
PubChem CID170640479
Molecular FormulaC19H33LrNO2
Molecular Weight569.48 g/mol
Exact Mass569.36
IUPAC Namelawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine
SMILESCCCC(C)COc1ccc(C(C(C)N)C(C)(C)OC)cc1.[Lr]
InChIInChI=1S/C19H33NO2.Lr/c1-7-8-14(2)13-22-17-11-9-16(10-12-17)18(15(3)20)19(4,5)21-6;/h9-12,14-15,18H,7-8,13,20H2,1-6H3;
InChIKeyAZMVBBMSRWGNDU-UHFFFAOYSA-N
XLogP4.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze lawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-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 lawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine?
The IUPAC name of lawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine (CID 170640479) is lawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine.
What is the SMILES notation for lawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine?
The canonical SMILES for lawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine is CCCC(C)COc1ccc(C(C(C)N)C(C)(C)OC)cc1.[Lr].
What is the InChIKey of lawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine?
The InChIKey is AZMVBBMSRWGNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2.Lr/c1-7-8-14(2)13-22-17-11-9-16(10-12-17)18(15(3)20)19(4,5)21-6;/h9-12,14-15,18H,7-8,13,20H2,1-6H3;.
What are the key properties of lawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine?
lawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine has a molecular weight of 569.48 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine is sourced from PubChem (CID 170640479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).