2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol

C17H29NO2 — CID 60881953

IUPAC2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol
SMILESCCCNC(C)CCc1ccc(OCC(C)(C)O)cc1
InChIInChI=1S/C17H29NO2/c1-5-12-18-14(2)6-7-15-8-10-16(11-9-15)20-13-17(3,4)19/h8-11,14,18-19H,5-7,12-13H2,1-4H3
InChIKeyREBDEXMWSDVSKT-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.16
Rot. Bonds9

About 2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol

2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol (PubChem CID 60881953) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol
PubChem CID60881953
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol
SMILESCCCNC(C)CCc1ccc(OCC(C)(C)O)cc1
InChIInChI=1S/C17H29NO2/c1-5-12-18-14(2)6-7-15-8-10-16(11-9-15)20-13-17(3,4)19/h8-11,14,18-19H,5-7,12-13H2,1-4H3
InChIKeyREBDEXMWSDVSKT-UHFFFAOYSA-N
XLogP3.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine
CID 80699637
4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine
CID 43279821
4-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-propylbutan-2-amine
CID 106436815
1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol
CID 107717911
4-(4-but-3-en-2-yloxyphenyl)-N-propylbutan-2-amine
CID 62389850
2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide
CID 43279784
2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol
CID 115494621
4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
CID 43279773
2,3-dimethyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol
CID 114491573
1-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylbutan-2-ol
CID 65108512
1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol
CID 60884005
4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
CID 63476133

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol (CID 60881953) is 2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol is CCCNC(C)CCc1ccc(OCC(C)(C)O)cc1.
What is the InChIKey of 2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol?
The InChIKey is REBDEXMWSDVSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-12-18-14(2)6-7-15-8-10-16(11-9-15)20-13-17(3,4)19/h8-11,14,18-19H,5-7,12-13H2,1-4H3.
What are the key properties of 2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol?
2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol is sourced from PubChem (CID 60881953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).