N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine

C18H31NO — CID 63473833

IUPACN-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCNC(COCCC(C)C)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-19-18(13-20-12-11-14(2)3)17-9-7-16(8-10-17)15(4)5/h7-10,14-15,18-19H,6,11-13H2,1-5H3
InChIKeyFJJARWAHPGYOSW-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.52
Rot. Bonds9

About N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine

N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 63473833) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID63473833
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCNC(COCCC(C)C)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-19-18(13-20-12-11-14(2)3)17-9-7-16(8-10-17)15(4)5/h7-10,14-15,18-19H,6,11-13H2,1-5H3
InChIKeyFJJARWAHPGYOSW-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine
CID 103149707
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803
N-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63474019
N-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 63474567
4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline
CID 105165499
2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200742
2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 66233587
3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144753
1-(4-propan-2-ylphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105144826
N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine
CID 63475832
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine
CID 103149543
N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine
CID 82920734

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine (CID 63473833) is N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine is CCNC(COCCC(C)C)c1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is FJJARWAHPGYOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-19-18(13-20-12-11-14(2)3)17-9-7-16(8-10-17)15(4)5/h7-10,14-15,18-19H,6,11-13H2,1-5H3.
What are the key properties of N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine?
N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 277.45 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 63473833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).