3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine

C13H21NO2 — CID 103024842

IUPAC3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine
SMILESCOc1cccc(C(N)CC(C)(C)OC)c1
InChIInChI=1S/C13H21NO2/c1-13(2,16-4)9-12(14)10-6-5-7-11(8-10)15-3/h5-8,12H,9,14H2,1-4H3
InChIKeyGUVLAKYGRWWQTR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.51
Rot. Bonds5

About 3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine

3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine (PubChem CID 103024842) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine
PubChem CID103024842
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine
SMILESCOc1cccc(C(N)CC(C)(C)OC)c1
InChIInChI=1S/C13H21NO2/c1-13(2,16-4)9-12(14)10-6-5-7-11(8-10)15-3/h5-8,12H,9,14H2,1-4H3
InChIKeyGUVLAKYGRWWQTR-UHFFFAOYSA-N
XLogP2.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780
2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine
CID 106665334
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine
CID 103025801
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212
tert-butyl (3S)-3-amino-3-(3-methoxyphenyl)propanoate
CID 54039799
(3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171239631
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine?
The IUPAC name of 3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine (CID 103024842) is 3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine?
The canonical SMILES for 3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine is COc1cccc(C(N)CC(C)(C)OC)c1.
What is the InChIKey of 3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine?
The InChIKey is GUVLAKYGRWWQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,16-4)9-12(14)10-6-5-7-11(8-10)15-3/h5-8,12H,9,14H2,1-4H3.
What are the key properties of 3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine?
3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 103024842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).