3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol

C15H25NO2 — CID 62022201

IUPAC3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
SMILESCc1ccc(OCCN(CCCO)C(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-13(2)16(9-4-11-17)10-12-18-15-7-5-14(3)6-8-15/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyJOHLJEXHSUXHIP-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.47
Rot. Bonds8

About 3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol

3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol (PubChem CID 62022201) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
PubChem CID62022201
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
SMILESCc1ccc(OCCN(CCCO)C(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-13(2)16(9-4-11-17)10-12-18-15-7-5-14(3)6-8-15/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyJOHLJEXHSUXHIP-UHFFFAOYSA-N
XLogP2.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022768
4-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]butanoic acid
CID 60833789
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 63365326
2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691972
[bis[2-(4-methylphenoxy)ethyl]amino]methanedithiolate;gold
CID 58131595
4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid
CID 60833954
4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid
CID 55027827
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 54916389
4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040169
N-butan-2-yl-N-ethyl-5-(4-methylphenoxy)pentan-1-amine iodide
CID 157424944
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol (CID 62022201) is 3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol is Cc1ccc(OCCN(CCCO)C(C)C)cc1.
What is the InChIKey of 3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol?
The InChIKey is JOHLJEXHSUXHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13(2)16(9-4-11-17)10-12-18-15-7-5-14(3)6-8-15/h5-8,13,17H,4,9-12H2,1-3H3.
What are the key properties of 3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol?
3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 62022201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).