2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol

C16H27NO2 — CID 64802099

IUPAC2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)Oc1cccc(C)c1
InChIInChI=1S/C16H27NO2/c1-5-9-17-16(4,12-18)11-14(3)19-15-8-6-7-13(2)10-15/h6-8,10,14,17-18H,5,9,11-12H2,1-4H3
InChIKeyODLHYRPICHBFEJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.90
Rot. Bonds8

About 2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol

2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol (PubChem CID 64802099) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol
PubChem CID64802099
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)Oc1cccc(C)c1
InChIInChI=1S/C16H27NO2/c1-5-9-17-16(4,12-18)11-14(3)19-15-8-6-7-13(2)10-15/h6-8,10,14,17-18H,5,9,11-12H2,1-4H3
InChIKeyODLHYRPICHBFEJ-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64804347
2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol
CID 64802296
methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
CID 64708498
4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide
CID 64707747
N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide
CID 119504615
4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64706561
4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide
CID 64706836
2-(ethylamino)-4-(4-fluorophenoxy)-2-methylpentan-1-ol
CID 64803932
1-hexan-2-yloxy-3-methylbenzene
CID 58153502
2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 64811206
2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide
CID 119804958
2-methyl-4-(4-methylphenyl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64808444

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol (CID 64802099) is 2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CC(C)Oc1cccc(C)c1.
What is the InChIKey of 2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol?
The InChIKey is ODLHYRPICHBFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-9-17-16(4,12-18)11-14(3)19-15-8-6-7-13(2)10-15/h6-8,10,14,17-18H,5,9,11-12H2,1-4H3.
What are the key properties of 2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol?
2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64802099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).