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

C12H20N2O2 — CID 21123306

IUPAC1-[3-(1-aminopropoxy)phenoxy]propan-1-amine
SMILESCCC(N)Oc1cccc(OC(N)CC)c1
InChIInChI=1S/C12H20N2O2/c1-3-11(13)15-9-6-5-7-10(8-9)16-12(14)4-2/h5-8,11-12H,3-4,13-14H2,1-2H3
InChIKeyQVMPQRHQKZNDGA-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.83
Rot. Bonds6

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

1-[3-(1-aminopropoxy)phenoxy]propan-1-amine (PubChem CID 21123306) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[3-(1-aminopropoxy)phenoxy]propan-1-amine.

Molecular Properties

Compound Name1-[3-(1-aminopropoxy)phenoxy]propan-1-amine
PubChem CID21123306
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[3-(1-aminopropoxy)phenoxy]propan-1-amine
SMILESCCC(N)Oc1cccc(OC(N)CC)c1
InChIInChI=1S/C12H20N2O2/c1-3-11(13)15-9-6-5-7-10(8-9)16-12(14)4-2/h5-8,11-12H,3-4,13-14H2,1-2H3
InChIKeyQVMPQRHQKZNDGA-UHFFFAOYSA-N
XLogP1.83
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(2-methylpropan-2-yl)oxy]phenoxy]propan-1-amine
CID 67825712
1,3-di(pentan-3-yloxy)benzene
CID 91386050
1,3-bis(1-fluoropropoxy)benzene
CID 22027155
1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 23622432
1-(4-iodophenoxy)propan-1-amine;hydrochloride
CID 70072246
(1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine
CID 28744549
1-phenoxypentan-1-amine
CID 68557687
(1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171262763
1-[3-(difluoromethoxy)phenyl]nonan-1-amine
CID 115835822
1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 79016250
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine
CID 141378858

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminopropoxy)phenoxy]propan-1-amine?
The IUPAC name of 1-[3-(1-aminopropoxy)phenoxy]propan-1-amine (CID 21123306) is 1-[3-(1-aminopropoxy)phenoxy]propan-1-amine.
What is the SMILES notation for 1-[3-(1-aminopropoxy)phenoxy]propan-1-amine?
The canonical SMILES for 1-[3-(1-aminopropoxy)phenoxy]propan-1-amine is CCC(N)Oc1cccc(OC(N)CC)c1.
What is the InChIKey of 1-[3-(1-aminopropoxy)phenoxy]propan-1-amine?
The InChIKey is QVMPQRHQKZNDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-11(13)15-9-6-5-7-10(8-9)16-12(14)4-2/h5-8,11-12H,3-4,13-14H2,1-2H3.
What are the key properties of 1-[3-(1-aminopropoxy)phenoxy]propan-1-amine?
1-[3-(1-aminopropoxy)phenoxy]propan-1-amine has a molecular weight of 224.30 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminopropoxy)phenoxy]propan-1-amine is sourced from PubChem (CID 21123306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).