1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol

C14H23NO3 — CID 62269721

IUPAC1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol
SMILESCC(C)CCOCC(O)COc1ccccc1N
InChIInChI=1S/C14H23NO3/c1-11(2)7-8-17-9-12(16)10-18-14-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10,15H2,1-2H3
InChIKeyQUCQFNVLSMETMJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.07
Rot. Bonds8

About 1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol

1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol (PubChem CID 62269721) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol
PubChem CID62269721
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol
SMILESCC(C)CCOCC(O)COc1ccccc1N
InChIInChI=1S/C14H23NO3/c1-11(2)7-8-17-9-12(16)10-18-14-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10,15H2,1-2H3
InChIKeyQUCQFNVLSMETMJ-UHFFFAOYSA-N
XLogP2.07
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
CID 104560220
1-(2-aminophenoxy)-3-pentoxypropan-2-ol
CID 62268656
1-(2-aminophenoxy)-3-hexoxypropan-2-ol
CID 62267422
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol
CID 62268837
1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol
CID 82804127
1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol
CID 104551272
1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol
CID 43364477
1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol
CID 62382373
1-(2-aminophenoxy)-3-(4-chlorophenoxy)propan-2-ol
CID 62267239
1-(2-aminophenoxy)propane-2-sulfonic acid
CID 87262430
2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline
CID 107869353

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol?
The IUPAC name of 1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol (CID 62269721) is 1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol.
What is the SMILES notation for 1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol?
The canonical SMILES for 1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol is CC(C)CCOCC(O)COc1ccccc1N.
What is the InChIKey of 1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol?
The InChIKey is QUCQFNVLSMETMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(2)7-8-17-9-12(16)10-18-14-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10,15H2,1-2H3.
What are the key properties of 1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol?
1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol is sourced from PubChem (CID 62269721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).