1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol

C17H21NO2 — CID 62268993

IUPAC1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol
SMILESNc1cccc(C(O)COCCCc2ccccc2)c1
InChIInChI=1S/C17H21NO2/c18-16-10-4-9-15(12-16)17(19)13-20-11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12,17,19H,5,8,11,13,18H2
InChIKeyJXUIQRYOJWMINA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.95
Rot. Bonds7

About 1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol

1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol (PubChem CID 62268993) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol
PubChem CID62268993
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol
SMILESNc1cccc(C(O)COCCCc2ccccc2)c1
InChIInChI=1S/C17H21NO2/c18-16-10-4-9-15(12-16)17(19)13-20-11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12,17,19H,5,8,11,13,18H2
InChIKeyJXUIQRYOJWMINA-UHFFFAOYSA-N
XLogP2.95
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol
CID 106199970
(2R)-1-(3-phenylpropoxy)propan-2-amine
CID 15118942
1-(3-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol
CID 82828468
(2R,3R)-3-chloro-1,4-bis(3-phenylpropoxy)butan-2-ol
CID 134933929
3-(3-phenylpropoxy)propane-1,2-diol
CID 66597635
1-(3-phenylpropoxy)-3-sulfanylpropan-2-ol
CID 175040300
3-(3-aminophenyl)-1-phenylpropan-1-ol
CID 12932006
1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol
CID 82828391
1-(3-aminophenyl)-2-[(2-fluorophenyl)methoxy]ethanol
CID 63932629
1,3-bis(3-aminophenyl)propan-1-ol
CID 12932007
1-[2-[1-phenyl-2-(3-phenylpropoxy)ethoxy]ethoxy]propan-2-ol
CID 58479078
1-(3-phenylpropoxy)pentan-2-ol
CID 62042803

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol (CID 62268993) is 1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol is Nc1cccc(C(O)COCCCc2ccccc2)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol?
The InChIKey is JXUIQRYOJWMINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c18-16-10-4-9-15(12-16)17(19)13-20-11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12,17,19H,5,8,11,13,18H2.
What are the key properties of 1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol?
1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol has a molecular weight of 271.36 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol is sourced from PubChem (CID 62268993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).