2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine

C18H31NO — CID 103283433

IUPAC2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCCCC(C)COCC(N)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H31NO/c1-5-6-15(4)12-20-13-18(19)17-9-7-16(8-10-17)11-14(2)3/h7-10,14-15,18H,5-6,11-13,19H2,1-4H3
InChIKeyQNFIOMLPRWISOQ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.34
Rot. Bonds9

About 2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine

2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine (PubChem CID 103283433) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
PubChem CID103283433
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCCCC(C)COCC(N)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H31NO/c1-5-6-15(4)12-20-13-18(19)17-9-7-16(8-10-17)11-14(2)3/h7-10,14-15,18H,5-6,11-13,19H2,1-4H3
InChIKeyQNFIOMLPRWISOQ-UHFFFAOYSA-N
XLogP4.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpentoxy)-1-phenylethanamine
CID 103283488
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 103487574
1-[4-(2-methylpropyl)phenyl]-2-phenoxyethanamine
CID 43095754
1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275431
1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine
CID 103283486
2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200916
1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207070
1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine
CID 116831500
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 43272065
1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine
CID 63558840

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of 2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine (CID 103283433) is 2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for 2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for 2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine is CCCC(C)COCC(N)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is QNFIOMLPRWISOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-6-15(4)12-20-13-18(19)17-9-7-16(8-10-17)11-14(2)3/h7-10,14-15,18H,5-6,11-13,19H2,1-4H3.
What are the key properties of 2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine?
2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 277.45 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 103283433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).