3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol

C17H29NO3 — CID 65107832

IUPAC3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1ccc(OC)c(COC)c1
InChIInChI=1S/C17H29NO3/c1-6-17(19,7-2)12-18-13(3)14-8-9-16(21-5)15(10-14)11-20-4/h8-10,13,18-19H,6-7,11-12H2,1-5H3
InChIKeyHCAQOGRQXQPTPL-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.04
Rot. Bonds9

About 3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol

3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol (PubChem CID 65107832) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol
PubChem CID65107832
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1ccc(OC)c(COC)c1
InChIInChI=1S/C17H29NO3/c1-6-17(19,7-2)12-18-13(3)14-8-9-16(21-5)15(10-14)11-20-4/h8-10,13,18-19H,6-7,11-12H2,1-5H3
InChIKeyHCAQOGRQXQPTPL-UHFFFAOYSA-N
XLogP3.04
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 115728707
4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol
CID 64910692
2-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 115724331
1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol
CID 103716987
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylsulfanylpropan-1-amine
CID 115895571
5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol
CID 103905531
3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 43514919
4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol
CID 65107715
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-3-methylsulfonylpropan-1-amine
CID 61020425
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
CID 63727807
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline
CID 43514886
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylbut-3-yn-2-amine
CID 63998709

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol (CID 65107832) is 3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol is CCC(O)(CC)CNC(C)c1ccc(OC)c(COC)c1.
What is the InChIKey of 3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol?
The InChIKey is HCAQOGRQXQPTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-6-17(19,7-2)12-18-13(3)14-8-9-16(21-5)15(10-14)11-20-4/h8-10,13,18-19H,6-7,11-12H2,1-5H3.
What are the key properties of 3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol?
3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol has a molecular weight of 295.42 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 65107832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).