1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol

C16H27NO2 — CID 60745192

IUPAC1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNCCCC(C)C
InChIInChI=1S/C16H27NO2/c1-13(2)7-6-10-17-11-15(18)12-19-16-9-5-4-8-14(16)3/h4-5,8-9,13,15,17-18H,6-7,10-12H2,1-3H3
InChIKeyXERUXYMMLBMMNJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.76
Rot. Bonds9

About 1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol

1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol (PubChem CID 60745192) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol
PubChem CID60745192
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNCCCC(C)C
InChIInChI=1S/C16H27NO2/c1-13(2)7-6-10-17-11-15(18)12-19-16-9-5-4-8-14(16)3/h4-5,8-9,13,15,17-18H,6-7,10-12H2,1-3H3
InChIKeyXERUXYMMLBMMNJ-UHFFFAOYSA-N
XLogP2.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.76
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-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-(2,5-dimethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745298
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853
1-(2-methylphenoxy)-3-(octylamino)propan-2-ol
CID 12548704
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 54332913
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160245
1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60902172
1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632285
1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 62843457
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol (CID 60745192) is 1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CNCCCC(C)C.
What is the InChIKey of 1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is XERUXYMMLBMMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)7-6-10-17-11-15(18)12-19-16-9-5-4-8-14(16)3/h4-5,8-9,13,15,17-18H,6-7,10-12H2,1-3H3.
What are the key properties of 1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol?
1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 60745192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).