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

C16H27NO2 — CID 103779714

IUPAC1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol
SMILESCCC(NCC(O)CC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C16H27NO2/c1-5-16(17-11-14(18)10-12(2)3)13-6-8-15(19-4)9-7-13/h6-9,12,14,16-18H,5,10-11H2,1-4H3
InChIKeyOUDOBVBDQBLVFK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.14
Rot. Bonds8

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

1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol (PubChem CID 103779714) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol
PubChem CID103779714
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol
SMILESCCC(NCC(O)CC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C16H27NO2/c1-5-16(17-11-14(18)10-12(2)3)13-6-8-15(19-4)9-7-13/h6-9,12,14,16-18H,5,10-11H2,1-4H3
InChIKeyOUDOBVBDQBLVFK-UHFFFAOYSA-N
XLogP3.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
CID 43499339
N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine
CID 43720355
N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981732
4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol
CID 113376060
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549
1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol
CID 103913530
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
1-[1-(4-methylphenyl)propylamino]butan-2-ol
CID 115899605
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 60904151

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol?
The IUPAC name of 1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol (CID 103779714) is 1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol is CCC(NCC(O)CC(C)C)c1ccc(OC)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol?
The InChIKey is OUDOBVBDQBLVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-16(17-11-14(18)10-12(2)3)13-6-8-15(19-4)9-7-13/h6-9,12,14,16-18H,5,10-11H2,1-4H3.
What are the key properties of 1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol?
1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol is sourced from PubChem (CID 103779714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).