N-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine

C18H31NO — CID 63474019

IUPACN-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCCNC(COCC(C)C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-19-18(13-20-12-15(4)5)17-9-7-16(8-10-17)11-14(2)3/h7-10,14-15,18-19H,6,11-13H2,1-5H3
InChIKeyZHZROMCLJVRNBD-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.21
Rot. Bonds9

About N-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine

N-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine (PubChem CID 63474019) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
PubChem CID63474019
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCCNC(COCC(C)C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-19-18(13-20-12-15(4)5)17-9-7-16(8-10-17)11-14(2)3/h7-10,14-15,18-19H,6,11-13H2,1-5H3
InChIKeyZHZROMCLJVRNBD-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200742
2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 82004546
N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 63473833
N-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 64652092
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216427
N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine
CID 63475832
N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070
N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844176
2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 106200984
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
2-cyclobutyloxy-N-ethyl-1-(4-propylphenyl)ethanamine
CID 62116839
N-ethyl-1-(4-propylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66277594

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine (CID 63474019) is N-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine is CCNC(COCC(C)C)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is ZHZROMCLJVRNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-19-18(13-20-12-15(4)5)17-9-7-16(8-10-17)11-14(2)3/h7-10,14-15,18-19H,6,11-13H2,1-5H3.
What are the key properties of N-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine?
N-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 277.45 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 63474019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).