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

C16H28N2O2 — CID 83938445

IUPAC2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine
SMILESCCCOc1ccc(C(C)CC(CN)CN)cc1OC
InChIInChI=1S/C16H28N2O2/c1-4-7-20-15-6-5-14(9-16(15)19-3)12(2)8-13(10-17)11-18/h5-6,9,12-13H,4,7-8,10-11,17-18H2,1-3H3
InChIKeyJELKBJVSWMOPDP-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.51
Rot. Bonds9

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

2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine (PubChem CID 83938445) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine
PubChem CID83938445
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine
SMILESCCCOc1ccc(C(C)CC(CN)CN)cc1OC
InChIInChI=1S/C16H28N2O2/c1-4-7-20-15-6-5-14(9-16(15)19-3)12(2)8-13(10-17)11-18/h5-6,9,12-13H,4,7-8,10-11,17-18H2,1-3H3
InChIKeyJELKBJVSWMOPDP-UHFFFAOYSA-N
XLogP2.51
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-methoxy-4-propoxyphenyl)propyl]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-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine
CID 83935077
5-(3-methoxy-4-propoxyphenyl)hexan-2-amine
CID 83938489
5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol
CID 83938537
4-hept-4-yn-2-yl-2-methoxy-1-propoxybenzene
CID 83938504
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343381
1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
CID 80699992
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol
CID 106453708
4-hex-5-yn-3-yl-2-methoxy-1-propoxybenzene
CID 83938505

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine?
The IUPAC name of 2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine (CID 83938445) is 2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine is CCCOc1ccc(C(C)CC(CN)CN)cc1OC.
What is the InChIKey of 2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine?
The InChIKey is JELKBJVSWMOPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-7-20-15-6-5-14(9-16(15)19-3)12(2)8-13(10-17)11-18/h5-6,9,12-13H,4,7-8,10-11,17-18H2,1-3H3.
What are the key properties of 2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine?
2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine is sourced from PubChem (CID 83938445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).