1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine

C15H25NO2 — CID 103032686

IUPAC1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCC(C)(C)OC)cc1
InChIInChI=1S/C15H25NO2/c1-12(16-4)13-6-8-14(9-7-13)18-11-10-15(2,3)17-5/h6-9,12,16H,10-11H2,1-5H3
InChIKeyIQDROWBWNWFJMS-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.16
Rot. Bonds7

About 1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine

1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine (PubChem CID 103032686) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine
PubChem CID103032686
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCC(C)(C)OC)cc1
InChIInChI=1S/C15H25NO2/c1-12(16-4)13-6-8-14(9-7-13)18-11-10-15(2,3)17-5/h6-9,12,16H,10-11H2,1-5H3
InChIKeyIQDROWBWNWFJMS-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217
1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103032329
3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 43285961
1-chloro-4-(3-methoxy-3-methylbutoxy)benzene
CID 102974966
4-[4-[1-(methylamino)ethyl]phenoxy]butanenitrile
CID 60880983
1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]-N-methylethanamine
CID 106665328
(NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine
CID 103033958
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
N-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103032855
N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide
CID 54879263
N-ethyl-1-[6-(3-methoxy-3-methylbutoxy)-3-pyridinyl]ethanamine
CID 106665931
2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 79360997

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine (CID 103032686) is 1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(OCCC(C)(C)OC)cc1.
What is the InChIKey of 1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine?
The InChIKey is IQDROWBWNWFJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(16-4)13-6-8-14(9-7-13)18-11-10-15(2,3)17-5/h6-9,12,16H,10-11H2,1-5H3.
What are the key properties of 1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine?
1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 103032686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).