4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C16H26FNO2 — CID 107171567

IUPAC4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCc1ccc(OC(C)CC(C)(CO)NC(C)C)cc1F
InChIInChI=1S/C16H26FNO2/c1-11(2)18-16(5,10-19)9-13(4)20-14-7-6-12(3)15(17)8-14/h6-8,11,13,18-19H,9-10H2,1-5H3
InChIKeyNUTRMAMQNDCEBB-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.04
Rot. Bonds7

About 4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 107171567) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID107171567
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCc1ccc(OC(C)CC(C)(CO)NC(C)C)cc1F
InChIInChI=1S/C16H26FNO2/c1-11(2)18-16(5,10-19)9-13(4)20-14-7-6-12(3)15(17)8-14/h6-8,11,13,18-19H,9-10H2,1-5H3
InChIKeyNUTRMAMQNDCEBB-UHFFFAOYSA-N
XLogP3.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine
CID 107170796
2-(ethylamino)-4-(4-fluorophenoxy)-2-methylpentan-1-ol
CID 64803932
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64809090
N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine
CID 107170738
4-(3,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64725409
2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)pentan-1-ol
CID 64804028
2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol
CID 64802099
4-methoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64804081
2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol
CID 64802296
N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide
CID 107171439
4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64804347
2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64805055

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 107171567) is 4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is Cc1ccc(OC(C)CC(C)(CO)NC(C)C)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is NUTRMAMQNDCEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-11(2)18-16(5,10-19)9-13(4)20-14-7-6-12(3)15(17)8-14/h6-8,11,13,18-19H,9-10H2,1-5H3.
What are the key properties of 4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 283.39 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 107171567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).