3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol

C14H24N2O2 — CID 65378876

IUPAC3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol
SMILESCC(C)Oc1cccc(C(CN)NCCCO)c1
InChIInChI=1S/C14H24N2O2/c1-11(2)18-13-6-3-5-12(9-13)14(10-15)16-7-4-8-17/h3,5-6,9,11,14,16-17H,4,7-8,10,15H2,1-2H3
InChIKeyZPQBCLIUGKOZHJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.45
Rot. Bonds8

About 3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol

3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol (PubChem CID 65378876) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol
PubChem CID65378876
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol
SMILESCC(C)Oc1cccc(C(CN)NCCCO)c1
InChIInChI=1S/C14H24N2O2/c1-11(2)18-13-6-3-5-12(9-13)14(10-15)16-7-4-8-17/h3,5-6,9,11,14,16-17H,4,7-8,10,15H2,1-2H3
InChIKeyZPQBCLIUGKOZHJ-UHFFFAOYSA-N
XLogP1.45
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol
CID 65378448
3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 65377403
2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol
CID 61211137
N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 65376750
2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol
CID 115526912
N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43694615
6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol
CID 103913178
3-(ethylamino)-3-(3-propan-2-yloxyphenyl)propanamide
CID 65233677
ethyl (2R,3S)-3-(3-hydroxypropylamino)-2-(3-methoxyphenyl)butanoate
CID 125466926
3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol
CID 65376786
2-(3-hydroxypropylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol
CID 82314314
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol (CID 65378876) is 3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol is CC(C)Oc1cccc(C(CN)NCCCO)c1.
What is the InChIKey of 3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol?
The InChIKey is ZPQBCLIUGKOZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(2)18-13-6-3-5-12(9-13)14(10-15)16-7-4-8-17/h3,5-6,9,11,14,16-17H,4,7-8,10,15H2,1-2H3.
What are the key properties of 3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol?
3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 65378876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).