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

C15H26N2O — CID 116934191

IUPAC1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine
SMILESCOc1c(C)cc(C(N)CC(C)CN)c(C)c1C
InChIInChI=1S/C15H26N2O/c1-9(8-16)6-14(17)13-7-10(2)15(18-5)12(4)11(13)3/h7,9,14H,6,8,16-17H2,1-5H3
InChIKeyAPBCDDWCMHVENT-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.61
Rot. Bonds5

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

1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine (PubChem CID 116934191) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine
PubChem CID116934191
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine
SMILESCOc1c(C)cc(C(N)CC(C)CN)c(C)c1C
InChIInChI=1S/C15H26N2O/c1-9(8-16)6-14(17)13-7-10(2)15(18-5)12(4)11(13)3/h7,9,14H,6,8,16-17H2,1-5H3
InChIKeyAPBCDDWCMHVENT-UHFFFAOYSA-N
XLogP2.61
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
CID 116932790
1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine
CID 116934631
1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine
CID 82297222
bromo-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947618
methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947288
1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904827
1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene
CID 88767616
[1-(aminomethyl)cyclobutyl]-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116943845
1-(4-methoxy-2,3,5-trimethylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949598
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
CID 13209710
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine
CID 117433026
1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine
CID 116961496

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine?
The IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine (CID 116934191) is 1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine?
The canonical SMILES for 1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine is COc1c(C)cc(C(N)CC(C)CN)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine?
The InChIKey is APBCDDWCMHVENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-9(8-16)6-14(17)13-7-10(2)15(18-5)12(4)11(13)3/h7,9,14H,6,8,16-17H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine?
1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.61, 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-methylbutane-1,4-diamine is sourced from PubChem (CID 116934191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).