1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol

C17H29NO3 — CID 65189462

IUPAC1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol
SMILESCCOCCC(O)C(CN)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C17H29NO3/c1-4-20-10-9-17(19)16(11-18)14-5-7-15(8-6-14)21-12-13(2)3/h5-8,13,16-17,19H,4,9-12,18H2,1-3H3
InChIKeyJRKGZQBNEDBGHA-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.55
Rot. Bonds10

About 1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol

1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol (PubChem CID 65189462) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol.

Molecular Properties

Compound Name1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol
PubChem CID65189462
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol
SMILESCCOCCC(O)C(CN)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C17H29NO3/c1-4-20-10-9-17(19)16(11-18)14-5-7-15(8-6-14)21-12-13(2)3/h5-8,13,16-17,19H,4,9-12,18H2,1-3H3
InChIKeyJRKGZQBNEDBGHA-UHFFFAOYSA-N
XLogP2.55
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol
CID 65189752
1-amino-2-(3,4-dimethylphenyl)-5-ethoxypentan-3-ol
CID 65189536
1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol
CID 65189512
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878
3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 65189415
1-amino-5-methoxy-2-(4-propan-2-ylphenyl)pentan-3-ol
CID 65189945
1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol
CID 65187810
(1S)-1-[4-(3-ethoxypropoxy)phenyl]ethanol
CID 65175040
1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 78954639
3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol
CID 65187865
1-amino-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 16642374
1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol
CID 65186284

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol?
The IUPAC name of 1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol (CID 65189462) is 1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol.
What is the SMILES notation for 1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol?
The canonical SMILES for 1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol is CCOCCC(O)C(CN)c1ccc(OCC(C)C)cc1.
What is the InChIKey of 1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol?
The InChIKey is JRKGZQBNEDBGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-20-10-9-17(19)16(11-18)14-5-7-15(8-6-14)21-12-13(2)3/h5-8,13,16-17,19H,4,9-12,18H2,1-3H3.
What are the key properties of 1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol?
1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol has a molecular weight of 295.42 g/mol, XLogP of 2.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol is sourced from PubChem (CID 65189462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).