2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol

C16H28N2O2 — CID 83942307

IUPAC2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
SMILESCc1cc(C)c(OCC(C)C)c(C(O)C(N)CCN)c1
InChIInChI=1S/C16H28N2O2/c1-10(2)9-20-16-12(4)7-11(3)8-13(16)15(19)14(18)5-6-17/h7-8,10,14-15,19H,5-6,9,17-18H2,1-4H3
InChIKeyXNQIHIJGKQWMCA-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.05
Rot. Bonds7

About 2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol

2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol (PubChem CID 83942307) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol.

Molecular Properties

Compound Name2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
PubChem CID83942307
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
SMILESCc1cc(C)c(OCC(C)C)c(C(O)C(N)CCN)c1
InChIInChI=1S/C16H28N2O2/c1-10(2)9-20-16-12(4)7-11(3)8-13(16)15(19)14(18)5-6-17/h7-8,10,14-15,19H,5-6,9,17-18H2,1-4H3
InChIKeyXNQIHIJGKQWMCA-UHFFFAOYSA-N
XLogP2.05
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
CID 83942311
1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol
CID 83942386
2-amino-1-(2-ethoxy-3,5-dimethylphenyl)-4-(methylamino)butan-1-ol
CID 83942048
2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]octane-4,5-diol
CID 83942398
2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol
CID 83928218
1-(4-chlorobutan-2-yl)-3,5-dimethyl-2-(2-methylpropoxy)benzene
CID 83942283
3,5-dimethyl-2-(2-methylpropoxy)aniline
CID 54853227
2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine
CID 83942296
5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol
CID 158039757
2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 83927786
1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol
CID 83934562

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol?
The IUPAC name of 2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol (CID 83942307) is 2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol.
What is the SMILES notation for 2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol?
The canonical SMILES for 2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol is Cc1cc(C)c(OCC(C)C)c(C(O)C(N)CCN)c1.
What is the InChIKey of 2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol?
The InChIKey is XNQIHIJGKQWMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-10(2)9-20-16-12(4)7-11(3)8-13(16)15(19)14(18)5-6-17/h7-8,10,14-15,19H,5-6,9,17-18H2,1-4H3.
What are the key properties of 2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol?
2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol is sourced from PubChem (CID 83942307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).