1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine

C16H28N2O — CID 116934631

IUPAC1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine
SMILESCOc1c(C)cc(C(N)CC(C)(C)CN)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-10-7-13(11(2)12(3)15(10)19-6)14(18)8-16(4,5)9-17/h7,14H,8-9,17-18H2,1-6H3
InChIKeyJDANWMIAVCQSEU-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.00
Rot. Bonds5

About 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine

1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine (PubChem CID 116934631) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine
PubChem CID116934631
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine
SMILESCOc1c(C)cc(C(N)CC(C)(C)CN)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-10-7-13(11(2)12(3)15(10)19-6)14(18)8-16(4,5)9-17/h7,14H,8-9,17-18H2,1-6H3
InChIKeyJDANWMIAVCQSEU-UHFFFAOYSA-N
XLogP3.00
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine
CID 82297222
1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
CID 116932790
1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine
CID 116934191
[1-(aminomethyl)cyclobutyl]-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116943845
bromo-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947618
methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947288
2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine
CID 82286744
1-(4-methoxy-3,5-dimethylphenyl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950143
2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine
CID 116855587
2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131786
1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene
CID 88767616
1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904827

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine (CID 116934631) is 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine is COc1c(C)cc(C(N)CC(C)(C)CN)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine?
The InChIKey is JDANWMIAVCQSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-10-7-13(11(2)12(3)15(10)19-6)14(18)8-16(4,5)9-17/h7,14H,8-9,17-18H2,1-6H3.
What are the key properties of 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine?
1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116934631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).