2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine

C19H34N2O — CID 83942296

IUPAC2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine
SMILESCCC(CC(CN)CN)c1cc(C)cc(C)c1OCC(C)C
InChIInChI=1S/C19H34N2O/c1-6-17(9-16(10-20)11-21)18-8-14(4)7-15(5)19(18)22-12-13(2)3/h7-8,13,16-17H,6,9-12,20-21H2,1-5H3
InChIKeyDGBUOZVMZPPKAN-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.76
Rot. Bonds9

About 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine

2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine (PubChem CID 83942296) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine
PubChem CID83942296
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine
SMILESCCC(CC(CN)CN)c1cc(C)cc(C)c1OCC(C)C
InChIInChI=1S/C19H34N2O/c1-6-17(9-16(10-20)11-21)18-8-14(4)7-15(5)19(18)22-12-13(2)3/h7-8,13,16-17H,6,9-12,20-21H2,1-5H3
InChIKeyDGBUOZVMZPPKAN-UHFFFAOYSA-N
XLogP3.76
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol
CID 83942386
3,5-dimethyl-2-(2-methylpropoxy)aniline
CID 54853227
2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
CID 83942307
1-(4-chlorobutan-2-yl)-3,5-dimethyl-2-(2-methylpropoxy)benzene
CID 83942283
2-[2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)butyl]propane-1,3-diamine
CID 83938825
2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]octane-4,5-diol
CID 83942398
2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol
CID 83942169
2-[2-(2-methyl-4-propoxyphenyl)butyl]propane-1,3-diamine
CID 83936840
2-[2-(2-chloro-4,5-dimethylphenyl)butyl]propane-1,3-diamine
CID 83931457
2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
CID 83942311
3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine
CID 103366783
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol
CID 83938830

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine?
The IUPAC name of 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine (CID 83942296) is 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine is CCC(CC(CN)CN)c1cc(C)cc(C)c1OCC(C)C.
What is the InChIKey of 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine?
The InChIKey is DGBUOZVMZPPKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-6-17(9-16(10-20)11-21)18-8-14(4)7-15(5)19(18)22-12-13(2)3/h7-8,13,16-17H,6,9-12,20-21H2,1-5H3.
What are the key properties of 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine?
2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine has a molecular weight of 306.49 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine is sourced from PubChem (CID 83942296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).