2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine

C19H34N2O — CID 83943036

IUPAC2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine
SMILESCCOc1c(C(C)CC(CN)CN)cc(C)cc1C(C)(C)C
InChIInChI=1S/C19H34N2O/c1-7-22-18-16(14(3)10-15(11-20)12-21)8-13(2)9-17(18)19(4,5)6/h8-9,14-15H,7,10-12,20-21H2,1-6H3
InChIKeyKCQLVVWSWGPSDR-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.72
Rot. Bonds7

About 2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine

2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine (PubChem CID 83943036) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine
PubChem CID83943036
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine
SMILESCCOc1c(C(C)CC(CN)CN)cc(C)cc1C(C)(C)C
InChIInChI=1S/C19H34N2O/c1-7-22-18-16(14(3)10-15(11-20)12-21)8-13(2)9-17(18)19(4,5)6/h8-9,14-15H,7,10-12,20-21H2,1-6H3
InChIKeyKCQLVVWSWGPSDR-UHFFFAOYSA-N
XLogP3.72
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-tert-butyl-2-ethoxy-5-methylphenyl)hexan-2-amine
CID 83943077
3-(3-tert-butyl-2-ethoxy-5-methylphenyl)butane-1-thiol
CID 83943023
2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol
CID 83942169
2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine
CID 83927537
ethyl 3-tert-butyl-2-ethoxy-5-methylbenzoate
CID 82551645
1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol
CID 83943002
2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol
CID 83933625
2-[2-(5-chloro-2-ethoxy-4-methylphenyl)propyl]propane-1,3-diamine
CID 83937594
2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol
CID 83941192
3-(3-tert-butyl-2-methoxy-5-methylphenyl)butanal
CID 117374437
6-(3-tert-butyl-2-ethoxy-5-methylphenyl)-2-methylhexan-3-one
CID 83943073
1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol
CID 82265791

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine?
The IUPAC name of 2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine (CID 83943036) is 2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine is CCOc1c(C(C)CC(CN)CN)cc(C)cc1C(C)(C)C.
What is the InChIKey of 2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine?
The InChIKey is KCQLVVWSWGPSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-7-22-18-16(14(3)10-15(11-20)12-21)8-13(2)9-17(18)19(4,5)6/h8-9,14-15H,7,10-12,20-21H2,1-6H3.
What are the key properties of 2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine?
2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine has a molecular weight of 306.49 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine is sourced from PubChem (CID 83943036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).