4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine

C15H25NO2 — CID 116925176

IUPAC4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine
SMILESCOc1cc(C)c(CC(C)(C)CCN)c(OC)c1
InChIInChI=1S/C15H25NO2/c1-11-8-12(17-4)9-14(18-5)13(11)10-15(2,3)6-7-16/h8-9H,6-7,10,16H2,1-5H3
InChIKeyBZKXQRMPCWDTDR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.93
Rot. Bonds6

About 4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine

4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine (PubChem CID 116925176) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine
PubChem CID116925176
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine
SMILESCOc1cc(C)c(CC(C)(C)CCN)c(OC)c1
InChIInChI=1S/C15H25NO2/c1-11-8-12(17-4)9-14(18-5)13(11)10-15(2,3)6-7-16/h8-9H,6-7,10,16H2,1-5H3
InChIKeyBZKXQRMPCWDTDR-UHFFFAOYSA-N
XLogP2.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 116925112
methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate
CID 116927600
4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine
CID 94264025
4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one
CID 116916392
1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene
CID 116932273
(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532
N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198564
1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine
CID 115200420
N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204410
1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene
CID 55275341
1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine
CID 82470482
2-(2,4-dimethoxy-6-methylphenyl)acetonitrile
CID 42638625

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine (CID 116925176) is 4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine is COc1cc(C)c(CC(C)(C)CCN)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine?
The InChIKey is BZKXQRMPCWDTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11-8-12(17-4)9-14(18-5)13(11)10-15(2,3)6-7-16/h8-9H,6-7,10,16H2,1-5H3.
What are the key properties of 4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine?
4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 116925176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).