1-cyclopropyl-2-(3-phenoxypropylamino)ethanol

C14H21NO2 — CID 55172175

IUPAC1-cyclopropyl-2-(3-phenoxypropylamino)ethanol
SMILESOC(CNCCCOc1ccccc1)C1CC1
InChIInChI=1S/C14H21NO2/c16-14(12-7-8-12)11-15-9-4-10-17-13-5-2-1-3-6-13/h1-3,5-6,12,14-16H,4,7-11H2
InChIKeyMVASMBTXXDTOTM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.82
Rot. Bonds8

About 1-cyclopropyl-2-(3-phenoxypropylamino)ethanol

1-cyclopropyl-2-(3-phenoxypropylamino)ethanol (PubChem CID 55172175) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-phenoxypropylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-phenoxypropylamino)ethanol
PubChem CID55172175
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-cyclopropyl-2-(3-phenoxypropylamino)ethanol
SMILESOC(CNCCCOc1ccccc1)C1CC1
InChIInChI=1S/C14H21NO2/c16-14(12-7-8-12)11-15-9-4-10-17-13-5-2-1-3-6-13/h1-3,5-6,12,14-16H,4,7-11H2
InChIKeyMVASMBTXXDTOTM-UHFFFAOYSA-N
XLogP1.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine
CID 62380605
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide
CID 63294026
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine
CID 62456357
1-cycloheptyl-3-phenoxypropan-1-ol
CID 82931193
1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol
CID 106989841
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
N-[(3-chlorocyclobutyl)methyl]-3-phenoxypropan-1-amine
CID 66005855
1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol
CID 62380958
N-methyl-3-phenoxypropan-1-amine
CID 22067856
2-acetamido-3-(3-phenoxypropylamino)propanoic acid
CID 64580883

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-phenoxypropylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(3-phenoxypropylamino)ethanol (CID 55172175) is 1-cyclopropyl-2-(3-phenoxypropylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(3-phenoxypropylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(3-phenoxypropylamino)ethanol is OC(CNCCCOc1ccccc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3-phenoxypropylamino)ethanol?
The InChIKey is MVASMBTXXDTOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-14(12-7-8-12)11-15-9-4-10-17-13-5-2-1-3-6-13/h1-3,5-6,12,14-16H,4,7-11H2.
What are the key properties of 1-cyclopropyl-2-(3-phenoxypropylamino)ethanol?
1-cyclopropyl-2-(3-phenoxypropylamino)ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-phenoxypropylamino)ethanol is sourced from PubChem (CID 55172175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).