2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine

C15H25NO2 — CID 102696755

IUPAC2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine
SMILESCCCOc1ccc(C(C)NCC(C)OC)cc1
InChIInChI=1S/C15H25NO2/c1-5-10-18-15-8-6-14(7-9-15)13(3)16-11-12(2)17-4/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyTUFFKXVHCBSBGM-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.16
Rot. Bonds8

About 2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine

2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine (PubChem CID 102696755) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine
PubChem CID102696755
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine
SMILESCCCOc1ccc(C(C)NCC(C)OC)cc1
InChIInChI=1S/C15H25NO2/c1-5-10-18-15-8-6-14(7-9-15)13(3)16-11-12(2)17-4/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyTUFFKXVHCBSBGM-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine
CID 54912857
N-[(1S)-1-(4-butoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 100558104
5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine
CID 103779924
4-[(1R)-1-[[(2S)-2-methoxypropyl]amino]ethyl]benzonitrile
CID 124600611
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine
CID 103460837
4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol
CID 64913817
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
N-ethyl-1-(4-hexoxyphenyl)ethanamine
CID 43279274
2-methoxy-1-(4-propoxyphenyl)-N-propylpropan-1-amine
CID 79617326
N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 62048598
N-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine
CID 82710446
1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897283

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine (CID 102696755) is 2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine is CCCOc1ccc(C(C)NCC(C)OC)cc1.
What is the InChIKey of 2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine?
The InChIKey is TUFFKXVHCBSBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-10-18-15-8-6-14(7-9-15)13(3)16-11-12(2)17-4/h6-9,12-13,16H,5,10-11H2,1-4H3.
What are the key properties of 2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine?
2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 102696755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).