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

C16H25NO3 — CID 62382373

IUPAC1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol
SMILESNc1ccccc1OCC(O)COCC1CCCCC1
InChIInChI=1S/C16H25NO3/c17-15-8-4-5-9-16(15)20-12-14(18)11-19-10-13-6-2-1-3-7-13/h4-5,8-9,13-14,18H,1-3,6-7,10-12,17H2
InChIKeyJCUJMOUZXRTWHO-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.61
Rot. Bonds7

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

1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol (PubChem CID 62382373) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol
PubChem CID62382373
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol
SMILESNc1ccccc1OCC(O)COCC1CCCCC1
InChIInChI=1S/C16H25NO3/c17-15-8-4-5-9-16(15)20-12-14(18)11-19-10-13-6-2-1-3-7-13/h4-5,8-9,13-14,18H,1-3,6-7,10-12,17H2
InChIKeyJCUJMOUZXRTWHO-UHFFFAOYSA-N
XLogP2.61
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol
CID 62268837
cyclohexylmethyl 2-(2-aminophenoxy)acetate
CID 61321591
1-(2-aminophenoxy)-3-pentoxypropan-2-ol
CID 62268656
2-[2-(cyclopropylmethoxy)ethoxy]aniline
CID 43366102
1-(2-aminophenoxy)-3-hexoxypropan-2-ol
CID 62267422
1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol
CID 62269721
1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
CID 104560220
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364467
1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol
CID 82804127
1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 61406761
1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol
CID 106200329

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol?
The IUPAC name of 1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol (CID 62382373) is 1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol?
The canonical SMILES for 1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol is Nc1ccccc1OCC(O)COCC1CCCCC1.
What is the InChIKey of 1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol?
The InChIKey is JCUJMOUZXRTWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c17-15-8-4-5-9-16(15)20-12-14(18)11-19-10-13-6-2-1-3-7-13/h4-5,8-9,13-14,18H,1-3,6-7,10-12,17H2.
What are the key properties of 1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol?
1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol is sourced from PubChem (CID 62382373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).