2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol

C15H25NO2 — CID 61246097

IUPAC2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
SMILESCOc1ccc(C(C)NC(CO)CC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-11(2)9-14(10-17)16-12(3)13-5-7-15(18-4)8-6-13/h5-8,11-12,14,16-17H,9-10H2,1-4H3
InChIKeyMZBKGOGELZUTMI-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.75
Rot. Bonds7

About 2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol

2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol (PubChem CID 61246097) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
PubChem CID61246097
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
SMILESCOc1ccc(C(C)NC(CO)CC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-11(2)9-14(10-17)16-12(3)13-5-7-15(18-4)8-6-13/h5-8,11-12,14,16-17H,9-10H2,1-4H3
InChIKeyMZBKGOGELZUTMI-UHFFFAOYSA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine
CID 43720355
(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103784104
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine
CID 81370732
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol
CID 61247130
4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol
CID 81337841
1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea
CID 12622951
(2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 104980899
2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol
CID 65315422
N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43111783

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol?
The IUPAC name of 2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol (CID 61246097) is 2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol is COc1ccc(C(C)NC(CO)CC(C)C)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol?
The InChIKey is MZBKGOGELZUTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)9-14(10-17)16-12(3)13-5-7-15(18-4)8-6-13/h5-8,11-12,14,16-17H,9-10H2,1-4H3.
What are the key properties of 2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol?
2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 61246097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).