1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine

C12H20N2O — CID 116932779

IUPAC1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
SMILESCCOc1ccc(C(N)CCN)cc1C
InChIInChI=1S/C12H20N2O/c1-3-15-12-5-4-10(8-9(12)2)11(14)6-7-13/h4-5,8,11H,3,6-7,13-14H2,1-2H3
InChIKeyFYNSGBAFRJASNG-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.74
Rot. Bonds5

About 1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine

1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine (PubChem CID 116932779) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
PubChem CID116932779
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
SMILESCCOc1ccc(C(N)CCN)cc1C
InChIInChI=1S/C12H20N2O/c1-3-15-12-5-4-10(8-9(12)2)11(14)6-7-13/h4-5,8,11H,3,6-7,13-14H2,1-2H3
InChIKeyFYNSGBAFRJASNG-UHFFFAOYSA-N
XLogP1.74
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine
CID 116933717
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 112512208
2,4-diamino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 116942673
1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935047
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 112515939
(1R)-1-(3-ethoxy-4-methoxyphenyl)butane-1,4-diamine
CID 171210802
(1S)-1-(4-ethoxy-3-methoxyphenyl)butane-1,4-diamine
CID 171231816
1,3-diamino-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116942528
1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
CID 116859676

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine (CID 116932779) is 1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine is CCOc1ccc(C(N)CCN)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine?
The InChIKey is FYNSGBAFRJASNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-15-12-5-4-10(8-9(12)2)11(14)6-7-13/h4-5,8,11H,3,6-7,13-14H2,1-2H3.
What are the key properties of 1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine?
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine has a molecular weight of 208.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 116932779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).