4-methyl-3-(2-phenoxyethylamino)pentan-1-ol

C14H23NO2 — CID 104696106

IUPAC4-methyl-3-(2-phenoxyethylamino)pentan-1-ol
SMILESCC(C)C(CCO)NCCOc1ccccc1
InChIInChI=1S/C14H23NO2/c1-12(2)14(8-10-16)15-9-11-17-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3
InChIKeySOKMPZAXBOIOIY-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.06
Rot. Bonds8

About 4-methyl-3-(2-phenoxyethylamino)pentan-1-ol

4-methyl-3-(2-phenoxyethylamino)pentan-1-ol (PubChem CID 104696106) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-methyl-3-(2-phenoxyethylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(2-phenoxyethylamino)pentan-1-ol
PubChem CID104696106
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-methyl-3-(2-phenoxyethylamino)pentan-1-ol
SMILESCC(C)C(CCO)NCCOc1ccccc1
InChIInChI=1S/C14H23NO2/c1-12(2)14(8-10-16)15-9-11-17-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3
InChIKeySOKMPZAXBOIOIY-UHFFFAOYSA-N
XLogP2.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.06
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

1-iodo-3-methyl-N-(2-phenoxyethyl)butan-2-amine
CID 107859490
N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 103750843
3-(2-methoxyethylamino)-4-methylpentan-1-ol
CID 104696168
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218
1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine
CID 102869382
2-methyl-3-(2-phenoxyethylamino)butanoic acid
CID 79391971
4-methyl-3-(2-pyridin-2-ylethylamino)pentan-1-ol
CID 106349529
1-iodo-N-[2-(4-methoxyphenoxy)ethyl]-3-methylbutan-2-amine
CID 107859425
3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine
CID 63517055
3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 111469199
N-(2-phenoxyethyl)octan-2-amine
CID 60689825
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-phenoxyethylamino)pentan-1-ol?
The IUPAC name of 4-methyl-3-(2-phenoxyethylamino)pentan-1-ol (CID 104696106) is 4-methyl-3-(2-phenoxyethylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-3-(2-phenoxyethylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-3-(2-phenoxyethylamino)pentan-1-ol is CC(C)C(CCO)NCCOc1ccccc1.
What is the InChIKey of 4-methyl-3-(2-phenoxyethylamino)pentan-1-ol?
The InChIKey is SOKMPZAXBOIOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(2)14(8-10-16)15-9-11-17-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3.
What are the key properties of 4-methyl-3-(2-phenoxyethylamino)pentan-1-ol?
4-methyl-3-(2-phenoxyethylamino)pentan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-phenoxyethylamino)pentan-1-ol is sourced from PubChem (CID 104696106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).