4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol

C17H29NO2 — CID 64804347

IUPAC4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)Oc1cc(C)cc(C)c1
InChIInChI=1S/C17H29NO2/c1-6-7-18-17(5,12-19)11-15(4)20-16-9-13(2)8-14(3)10-16/h8-10,15,18-19H,6-7,11-12H2,1-5H3
InChIKeyKVDJUGOSZLXBNX-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.21
Rot. Bonds8

About 4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol

4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64804347) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64804347
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)Oc1cc(C)cc(C)c1
InChIInChI=1S/C17H29NO2/c1-6-7-18-17(5,12-19)11-15(4)20-16-9-13(2)8-14(3)10-16/h8-10,15,18-19H,6-7,11-12H2,1-5H3
InChIKeyKVDJUGOSZLXBNX-UHFFFAOYSA-N
XLogP3.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol
CID 64802099
2-(ethylamino)-4-(4-fluorophenoxy)-2-methylpentan-1-ol
CID 64803932
2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 64811206
2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol
CID 64802296
1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol
CID 64813378
4-(3,5-dimethylphenoxy)-N-propylpentan-2-amine
CID 64708090
2-methyl-4-octoxy-2-(propylamino)pentan-1-ol
CID 64809987
2-methyl-4-(4-methylphenyl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64808444
4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64810828
4-(3,5-difluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64719812
4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 107171567
2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol
CID 64802459

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol (CID 64804347) is 4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CC(C)Oc1cc(C)cc(C)c1.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is KVDJUGOSZLXBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-7-18-17(5,12-19)11-15(4)20-16-9-13(2)8-14(3)10-16/h8-10,15,18-19H,6-7,11-12H2,1-5H3.
What are the key properties of 4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol?
4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64804347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).