1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine

C14H23NO — CID 82048906

IUPAC1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine
SMILESCOc1cc(C)c(C(N)CC(C)C)c(C)c1
InChIInChI=1S/C14H23NO/c1-9(2)6-13(15)14-10(3)7-12(16-5)8-11(14)4/h7-9,13H,6,15H2,1-5H3
InChIKeyDGUUKOVYYFNQQX-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.36
Rot. Bonds4

About 1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine

1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine (PubChem CID 82048906) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine
PubChem CID82048906
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine
SMILESCOc1cc(C)c(C(N)CC(C)C)c(C)c1
InChIInChI=1S/C14H23NO/c1-9(2)6-13(15)14-10(3)7-12(16-5)8-11(14)4/h7-9,13H,6,15H2,1-5H3
InChIKeyDGUUKOVYYFNQQX-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3S)-1,3-bis(2,6-dichloro-4-methoxyphenyl)propane-1,3-diamine
CID 131850438
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 116948929
(1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171211631
3-chloro-1-(2,4-dimethoxy-6-methylphenyl)propan-1-amine
CID 116937769
(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171201173
3-(4-methoxy-2,6-dimethylphenyl)butanethioamide
CID 83940097
(1S)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171220710
2-(4-bromobutan-2-yl)-5-methoxy-1,3-dimethylbenzene
CID 83940053
(1S)-3-methyl-1-(2,3,4,5,6-pentamethylphenyl)butan-1-amine
CID 28525663
1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine
CID 116934957
5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene
CID 83940128
5-methoxy-3-methyl-2-propan-2-ylphenol
CID 90394378

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine (CID 82048906) is 1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine is COc1cc(C)c(C(N)CC(C)C)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine?
The InChIKey is DGUUKOVYYFNQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9(2)6-13(15)14-10(3)7-12(16-5)8-11(14)4/h7-9,13H,6,15H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine?
1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 82048906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).