2-(2-ethylphenyl)-N-(2,4,6-trimethylheptan-4-yloxy)propan-2-amine

C21H37NO — CID 118072464

IUPAC2-(2-ethylphenyl)-N-(2,4,6-trimethylheptan-4-yloxy)propan-2-amine
SMILESCCc1ccccc1C(C)(C)NOC(C)(CC(C)C)CC(C)C
InChIInChI=1S/C21H37NO/c1-9-18-12-10-11-13-19(18)20(6,7)22-23-21(8,14-16(2)3)15-17(4)5/h10-13,16-17,22H,9,14-15H2,1-8H3
InChIKeyLAQYRWQAHDZEJD-UHFFFAOYSA-N
MW319.53 g/mol
LogP5.86
Rot. Bonds9

About 2-(2-ethylphenyl)-N-(2,4,6-trimethylheptan-4-yloxy)propan-2-amine

2-(2-ethylphenyl)-N-(2,4,6-trimethylheptan-4-yloxy)propan-2-amine (PubChem CID 118072464) has the molecular formula C21H37NO and a molecular weight of 319.53 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-N-(2,4,6-trimethylheptan-4-yloxy)propan-2-amine.

Molecular Properties

Compound Name2-(2-ethylphenyl)-N-(2,4,6-trimethylheptan-4-yloxy)propan-2-amine
PubChem CID118072464
Molecular FormulaC21H37NO
Molecular Weight319.53 g/mol
Exact Mass319.29
IUPAC Name2-(2-ethylphenyl)-N-(2,4,6-trimethylheptan-4-yloxy)propan-2-amine
SMILESCCc1ccccc1C(C)(C)NOC(C)(CC(C)C)CC(C)C
InChIInChI=1S/C21H37NO/c1-9-18-12-10-11-13-19(18)20(6,7)22-23-21(8,14-16(2)3)15-17(4)5/h10-13,16-17,22H,9,14-15H2,1-8H3
InChIKeyLAQYRWQAHDZEJD-UHFFFAOYSA-N
XLogP5.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.53
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-ethylphenyl)-N-(2,4,6-trimethylheptan-4-yloxy)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

Related Compounds

1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251
2-(2-ethylphenyl)propan-2-ol
CID 11958936
2-(2-ethylphenyl)propan-2-yl-bis(2-methylpropyl)-phenoxyazanium chloride
CID 175573257
[cyanato-(2-ethylphenyl)-phenylmethyl] cyanate
CID 160758997
1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane
CID 143578858
2-ethyl-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43147091
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol
CID 117114443
amino-(2-ethylphenyl)methanediol
CID 174590364
[2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene
CID 169096985
3-(2-ethylphenyl)-N-oxidopentan-3-amine
CID 141431136
2-(2,4-dimethylpentan-2-yl)phenol
CID 130033445
1,2-diethylbenzene;hydrobromide
CID 174973685

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-N-(2,4,6-trimethylheptan-4-yloxy)propan-2-amine?
The IUPAC name of 2-(2-ethylphenyl)-N-(2,4,6-trimethylheptan-4-yloxy)propan-2-amine (CID 118072464) is 2-(2-ethylphenyl)-N-(2,4,6-trimethylheptan-4-yloxy)propan-2-amine.
What is the SMILES notation for 2-(2-ethylphenyl)-N-(2,4,6-trimethylheptan-4-yloxy)propan-2-amine?
The canonical SMILES for 2-(2-ethylphenyl)-N-(2,4,6-trimethylheptan-4-yloxy)propan-2-amine is CCc1ccccc1C(C)(C)NOC(C)(CC(C)C)CC(C)C.
What is the InChIKey of 2-(2-ethylphenyl)-N-(2,4,6-trimethylheptan-4-yloxy)propan-2-amine?
The InChIKey is LAQYRWQAHDZEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO/c1-9-18-12-10-11-13-19(18)20(6,7)22-23-21(8,14-16(2)3)15-17(4)5/h10-13,16-17,22H,9,14-15H2,1-8H3.
What are the key properties of 2-(2-ethylphenyl)-N-(2,4,6-trimethylheptan-4-yloxy)propan-2-amine?
2-(2-ethylphenyl)-N-(2,4,6-trimethylheptan-4-yloxy)propan-2-amine has a molecular weight of 319.53 g/mol, XLogP of 5.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-N-(2,4,6-trimethylheptan-4-yloxy)propan-2-amine is sourced from PubChem (CID 118072464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).