2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine

C14H24N2O — CID 83942546

IUPAC2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine
SMILESCCOc1ccc(CC)cc1CC(CN)CN
InChIInChI=1S/C14H24N2O/c1-3-11-5-6-14(17-4-2)13(7-11)8-12(9-15)10-16/h5-7,12H,3-4,8-10,15-16H2,1-2H3
InChIKeyMHLBWDIVSXENCK-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.72
Rot. Bonds7

About 2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine

2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine (PubChem CID 83942546) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine
PubChem CID83942546
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine
SMILESCCOc1ccc(CC)cc1CC(CN)CN
InChIInChI=1S/C14H24N2O/c1-3-11-5-6-14(17-4-2)13(7-11)8-12(9-15)10-16/h5-7,12H,3-4,8-10,15-16H2,1-2H3
InChIKeyMHLBWDIVSXENCK-UHFFFAOYSA-N
XLogP1.72
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol
CID 83942544
1-(2-ethoxy-5-ethylphenyl)-2-methylheptan-4-one
CID 83942574
3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 83973025
2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine
CID 82141576
1-ethoxy-4-ethyl-2-pent-3-ynylbenzene
CID 83942596
1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride
CID 170890383
2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933623
2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine
CID 83931979
1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride
CID 170890481
1-ethoxy-4-ethyl-2-(trifluoromethyl)benzene
CID 118314791
2-ethoxy-4-ethyl-1-propylbenzene
CID 14665571
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of 2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine (CID 83942546) is 2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for 2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for 2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine is CCOc1ccc(CC)cc1CC(CN)CN.
What is the InChIKey of 2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine?
The InChIKey is MHLBWDIVSXENCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-11-5-6-14(17-4-2)13(7-11)8-12(9-15)10-16/h5-7,12H,3-4,8-10,15-16H2,1-2H3.
What are the key properties of 2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine?
2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 83942546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).