2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine

C16H27NO2 — CID 43184192

IUPAC2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)CCOCC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-12(2)9-10-18-11-16(17)14-5-7-15(8-6-14)19-13(3)4/h5-8,12-13,16H,9-11,17H2,1-4H3
InChIKeyDQSHHJXYHRRDJG-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.54
Rot. Bonds8

About 2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine

2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 43184192) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID43184192
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)CCOCC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-12(2)9-10-18-11-16(17)14-5-7-15(8-6-14)19-13(3)4/h5-8,12-13,16H,9-11,17H2,1-4H3
InChIKeyDQSHHJXYHRRDJG-UHFFFAOYSA-N
XLogP3.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine 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-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine
CID 43093766
2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43127517
1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine
CID 43127754
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 54944095
1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16785577
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758
2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 16788405
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 61451426
N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 16781981
1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine
CID 43184596
(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 171210773

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine (CID 43184192) is 2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine is CC(C)CCOCC(N)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is DQSHHJXYHRRDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)9-10-18-11-16(17)14-5-7-15(8-6-14)19-13(3)4/h5-8,12-13,16H,9-11,17H2,1-4H3.
What are the key properties of 2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine?
2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 43184192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).