N-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine

C15H25NO2 — CID 82710446

IUPACN-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(C)NOCC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-5-10-17-15-8-6-14(7-9-15)13(4)16-18-11-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyMTOHHFQIGNISGV-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.71
Rot. Bonds8

About N-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine

N-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine (PubChem CID 82710446) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine
PubChem CID82710446
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(C)NOCC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-5-10-17-15-8-6-14(7-9-15)13(4)16-18-11-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyMTOHHFQIGNISGV-UHFFFAOYSA-N
XLogP3.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine
CID 82710974
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 62795609
N-[(1S)-1-(4-butoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 100558104
2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine
CID 54912857
N-[1-(4-propoxyphenyl)ethyl]hexan-2-amine
CID 63476745
2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine
CID 102696755
1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine
CID 82708974
[(1S)-1-(4-butoxyphenyl)ethyl]hydrazine
CID 98014048
N-butan-2-yl-4-propoxyaniline
CID 21311789
3,4-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43101196
4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol
CID 64913817
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine
CID 103460837

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of N-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine (CID 82710446) is N-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for N-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for N-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(C)NOCC(C)C)cc1.
What is the InChIKey of N-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine?
The InChIKey is MTOHHFQIGNISGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-10-17-15-8-6-14(7-9-15)13(4)16-18-11-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3.
What are the key properties of N-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine?
N-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 82710446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).