3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine

C15H25NO2 — CID 132649493

IUPAC3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
SMILESCOCCCNC(C)c1ccccc1OC(C)C
InChIInChI=1S/C15H25NO2/c1-12(2)18-15-9-6-5-8-14(15)13(3)16-10-7-11-17-4/h5-6,8-9,12-13,16H,7,10-11H2,1-4H3
InChIKeyYZPFOWBHFKOCSL-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.16
Rot. Bonds8

About 3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine

3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine (PubChem CID 132649493) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
PubChem CID132649493
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
SMILESCOCCCNC(C)c1ccccc1OC(C)C
InChIInChI=1S/C15H25NO2/c1-12(2)18-15-9-6-5-8-14(15)13(3)16-10-7-11-17-4/h5-6,8-9,12-13,16H,7,10-11H2,1-4H3
InChIKeyYZPFOWBHFKOCSL-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

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine
CID 43205059
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CID 104647527
(1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 100556304
(1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine
CID 104562658
[4-methoxy-1-(2-propan-2-yloxyphenyl)butyl]hydrazine
CID 105225070
N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715454
N-(cyclopropylmethyl)-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735006
4-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]butanenitrile
CID 81387219
3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115704472
4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
CID 106840787
1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62749077
N-[1-(2-hexoxyphenyl)ethyl]octan-1-amine
CID 54807415

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine (CID 132649493) is 3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine is COCCCNC(C)c1ccccc1OC(C)C.
What is the InChIKey of 3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine?
The InChIKey is YZPFOWBHFKOCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)18-15-9-6-5-8-14(15)13(3)16-10-7-11-17-4/h5-6,8-9,12-13,16H,7,10-11H2,1-4H3.
What are the key properties of 3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine?
3-methoxy-N-[1-(2-propan-2-yloxyphenyl)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 3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 132649493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).