2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine

C17H30N2O — CID 83941785

IUPAC2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine
SMILESCCCOc1ccc(C(C)CC(CN)CN)c(CC)c1
InChIInChI=1S/C17H30N2O/c1-4-8-20-16-6-7-17(15(5-2)10-16)13(3)9-14(11-18)12-19/h6-7,10,13-14H,4-5,8-9,11-12,18-19H2,1-3H3
InChIKeyOHMDOVKYQGWWIF-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.07
Rot. Bonds9

About 2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine

2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine (PubChem CID 83941785) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine
PubChem CID83941785
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine
SMILESCCCOc1ccc(C(C)CC(CN)CN)c(CC)c1
InChIInChI=1S/C17H30N2O/c1-4-8-20-16-6-7-17(15(5-2)10-16)13(3)9-14(11-18)12-19/h6-7,10,13-14H,4-5,8-9,11-12,18-19H2,1-3H3
InChIKeyOHMDOVKYQGWWIF-UHFFFAOYSA-N
XLogP3.07
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-ethyl-4-propoxyphenyl)hexane-2,3-diol
CID 83941886
2-[2-(2-methyl-4-propoxyphenyl)butyl]propane-1,3-diamine
CID 83936840
4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole
CID 112719530
2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine
CID 83935077
4-(4-ethoxy-2-ethylphenyl)pentanenitrile
CID 83941706
2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine
CID 83927537
2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine
CID 83938445
2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol
CID 83944138
3-(2-ethyl-4-propoxyphenyl)pentyl thiocyanate
CID 112719526
1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
CID 82551989
2-(aminomethyl)-3-(4-ethoxy-2-ethylphenyl)propan-1-ol
CID 83941663
2-chloro-1-ethyl-4-propoxybenzene
CID 21064447

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine?
The IUPAC name of 2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine (CID 83941785) is 2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine is CCCOc1ccc(C(C)CC(CN)CN)c(CC)c1.
What is the InChIKey of 2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine?
The InChIKey is OHMDOVKYQGWWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-8-20-16-6-7-17(15(5-2)10-16)13(3)9-14(11-18)12-19/h6-7,10,13-14H,4-5,8-9,11-12,18-19H2,1-3H3.
What are the key properties of 2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine?
2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine is sourced from PubChem (CID 83941785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).