4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine

C15H25NO — CID 116925112

IUPAC4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine
SMILESCOc1cc(C)c(C)cc1CC(C)(C)CCN
InChIInChI=1S/C15H25NO/c1-11-8-13(10-15(3,4)6-7-16)14(17-5)9-12(11)2/h8-9H,6-7,10,16H2,1-5H3
InChIKeyHRJULGAICQOSPF-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.23
Rot. Bonds5

About 4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine

4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine (PubChem CID 116925112) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine
PubChem CID116925112
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine
SMILESCOc1cc(C)c(C)cc1CC(C)(C)CCN
InChIInChI=1S/C15H25NO/c1-11-8-13(10-15(3,4)6-7-16)14(17-5)9-12(11)2/h8-9H,6-7,10,16H2,1-5H3
InChIKeyHRJULGAICQOSPF-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204410
4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine
CID 94264025
4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine
CID 116925176
1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol
CID 82126628
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine
CID 65305287
3-N-(2,5-dimethoxy-4-methylphenyl)-3-methylbutane-1,3-diamine
CID 115134457
3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine
CID 115134461
O-[(2-methoxy-4,5-dimethylphenyl)methyl]hydroxylamine
CID 83482464
3,3-dimethyl-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine
CID 116925179
3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 82111061
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine (CID 116925112) is 4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine is COc1cc(C)c(C)cc1CC(C)(C)CCN.
What is the InChIKey of 4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine?
The InChIKey is HRJULGAICQOSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-8-13(10-15(3,4)6-7-16)14(17-5)9-12(11)2/h8-9H,6-7,10,16H2,1-5H3.
What are the key properties of 4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine?
4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 116925112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).