4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine

C14H24N2O — CID 112500996

IUPAC4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine
SMILESCc1cc(C)cc(OCC(CCN)N(C)C)c1
InChIInChI=1S/C14H24N2O/c1-11-7-12(2)9-14(8-11)17-10-13(5-6-15)16(3)4/h7-9,13H,5-6,10,15H2,1-4H3
InChIKeyZCYODAZISJCBLF-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.96
Rot. Bonds6

About 4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine

4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine (PubChem CID 112500996) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine
PubChem CID112500996
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine
SMILESCc1cc(C)cc(OCC(CCN)N(C)C)c1
InChIInChI=1S/C14H24N2O/c1-11-7-12(2)9-14(8-11)17-10-13(5-6-15)16(3)4/h7-9,13H,5-6,10,15H2,1-4H3
InChIKeyZCYODAZISJCBLF-UHFFFAOYSA-N
XLogP1.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,3-N-dimethyl-4-(3-methylphenoxy)butane-1,3-diamine
CID 112500984
3-N,3-N-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butane-1,3-diamine
CID 112501002
1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol
CID 112508033
2-N,2-N-dimethylbutane-1,2,4-triamine
CID 18471403
4-(3,5-dimethylphenoxy)-3-(ethylamino)butan-1-ol
CID 64897803
[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]methanol
CID 118527436
4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol
CID 64897598
3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112500956
3-[3-(2,3-dihydroxypropoxy)-5-methylphenoxy]propane-1,2-diol
CID 18362183
1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene
CID 12661792
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol
CID 110936185

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine?
The IUPAC name of 4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine (CID 112500996) is 4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine is Cc1cc(C)cc(OCC(CCN)N(C)C)c1.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine?
The InChIKey is ZCYODAZISJCBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-7-12(2)9-14(8-11)17-10-13(5-6-15)16(3)4/h7-9,13H,5-6,10,15H2,1-4H3.
What are the key properties of 4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine?
4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 112500996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).