3-[4-(3-aminopropoxy)phenoxy]propan-1-amine

C12H20N2O2 — CID 3650737

IUPAC3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
SMILESNCCCOc1ccc(OCCCN)cc1
InChIInChI=1S/C12H20N2O2/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h3-6H,1-2,7-10,13-14H2
InChIKeyCJCOYIXVZLLXHJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.14
Rot. Bonds8

About 3-[4-(3-aminopropoxy)phenoxy]propan-1-amine

3-[4-(3-aminopropoxy)phenoxy]propan-1-amine (PubChem CID 3650737) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[4-(3-aminopropoxy)phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
PubChem CID3650737
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
SMILESNCCCOc1ccc(OCCCN)cc1
InChIInChI=1S/C12H20N2O2/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h3-6H,1-2,7-10,13-14H2
InChIKeyCJCOYIXVZLLXHJ-UHFFFAOYSA-N
XLogP1.14
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine
CID 154815318
3-(4-ethynylphenoxy)propan-1-amine
CID 138985437
3-(4-hexoxyphenoxy)propan-1-amine
CID 90318959
[4-(3-aminopropoxy)phenyl]methanol;hydrochloride
CID 118916202
3-[4-(4-chlorophenoxy)butoxy]propan-1-amine
CID 82352662
3-[4-[2-[3,5-bis[2-[4-(3-aminopropoxy)phenyl]ethynyl]phenyl]ethynyl]phenoxy]propan-1-amine
CID 122211847
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
3-(4-ethylsulfanylphenoxy)propan-1-amine
CID 98783329
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
3-(4-phenoxybutoxy)propan-1-amine
CID 82352658
(2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine
CID 57215719

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopropoxy)phenoxy]propan-1-amine?
The IUPAC name of 3-[4-(3-aminopropoxy)phenoxy]propan-1-amine (CID 3650737) is 3-[4-(3-aminopropoxy)phenoxy]propan-1-amine.
What is the SMILES notation for 3-[4-(3-aminopropoxy)phenoxy]propan-1-amine?
The canonical SMILES for 3-[4-(3-aminopropoxy)phenoxy]propan-1-amine is NCCCOc1ccc(OCCCN)cc1.
What is the InChIKey of 3-[4-(3-aminopropoxy)phenoxy]propan-1-amine?
The InChIKey is CJCOYIXVZLLXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h3-6H,1-2,7-10,13-14H2.
What are the key properties of 3-[4-(3-aminopropoxy)phenoxy]propan-1-amine?
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine has a molecular weight of 224.30 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminopropoxy)phenoxy]propan-1-amine is sourced from PubChem (CID 3650737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).