3-[3-(3-aminopropylamino)phenoxy]propan-1-ol

C12H20N2O2 — CID 117097601

IUPAC3-[3-(3-aminopropylamino)phenoxy]propan-1-ol
SMILESNCCCNc1cccc(OCCCO)c1
InChIInChI=1S/C12H20N2O2/c13-6-2-7-14-11-4-1-5-12(10-11)16-9-3-8-15/h1,4-5,10,14-15H,2-3,6-9,13H2
InChIKeyKJLLLGOWVBACPQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.21
Rot. Bonds8

About 3-[3-(3-aminopropylamino)phenoxy]propan-1-ol

3-[3-(3-aminopropylamino)phenoxy]propan-1-ol (PubChem CID 117097601) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[3-(3-aminopropylamino)phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-aminopropylamino)phenoxy]propan-1-ol
PubChem CID117097601
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[3-(3-aminopropylamino)phenoxy]propan-1-ol
SMILESNCCCNc1cccc(OCCCO)c1
InChIInChI=1S/C12H20N2O2/c13-6-2-7-14-11-4-1-5-12(10-11)16-9-3-8-15/h1,4-5,10,14-15H,2-3,6-9,13H2
InChIKeyKJLLLGOWVBACPQ-UHFFFAOYSA-N
XLogP1.21
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3-aminopropylamino)phenoxy]propane-1,2-diol
CID 117097595
2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide
CID 117097567
2-[3-(5-aminopentylamino)phenoxy]acetonitrile
CID 59231148
3-butoxy-N-octylaniline
CID 54800685
6-(3-phenoxyanilino)hexan-1-ol
CID 103867980
2-[3-(4-aminobutylamino)phenyl]ethanol
CID 83963103
N-butyl-3-(2-ethoxyethoxy)aniline
CID 54801731
2-amino-N-[3-(2-fluoroethoxy)phenyl]acetamide;hydrochloride
CID 119337987
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334
tert-butyl N-[3-[2-(3-aminopropylamino)ethoxy]phenyl]carbamate
CID 107243446
N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine
CID 54805927
N-hexyl-3-(2-methoxyethoxy)aniline
CID 54803081

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminopropylamino)phenoxy]propan-1-ol?
The IUPAC name of 3-[3-(3-aminopropylamino)phenoxy]propan-1-ol (CID 117097601) is 3-[3-(3-aminopropylamino)phenoxy]propan-1-ol.
What is the SMILES notation for 3-[3-(3-aminopropylamino)phenoxy]propan-1-ol?
The canonical SMILES for 3-[3-(3-aminopropylamino)phenoxy]propan-1-ol is NCCCNc1cccc(OCCCO)c1.
What is the InChIKey of 3-[3-(3-aminopropylamino)phenoxy]propan-1-ol?
The InChIKey is KJLLLGOWVBACPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-6-2-7-14-11-4-1-5-12(10-11)16-9-3-8-15/h1,4-5,10,14-15H,2-3,6-9,13H2.
What are the key properties of 3-[3-(3-aminopropylamino)phenoxy]propan-1-ol?
3-[3-(3-aminopropylamino)phenoxy]propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-aminopropylamino)phenoxy]propan-1-ol is sourced from PubChem (CID 117097601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).