5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol

C16H26FNO — CID 63066533

IUPAC5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
SMILESCC(C)CCCC(C)NC(C)c1ccc(F)cc1O
InChIInChI=1S/C16H26FNO/c1-11(2)6-5-7-12(3)18-13(4)15-9-8-14(17)10-16(15)19/h8-13,18-19H,5-7H2,1-4H3
InChIKeyCDZMTTDYNPILAZ-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.40
Rot. Bonds7

About 5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol

5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol (PubChem CID 63066533) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
PubChem CID63066533
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
SMILESCC(C)CCCC(C)NC(C)c1ccc(F)cc1O
InChIInChI=1S/C16H26FNO/c1-11(2)6-5-7-12(3)18-13(4)15-9-8-14(17)10-16(15)19/h8-13,18-19H,5-7H2,1-4H3
InChIKeyCDZMTTDYNPILAZ-UHFFFAOYSA-N
XLogP4.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol
CID 63066523
5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
CID 43099355
N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine
CID 43108471
5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 63066726
5-fluoro-2-[1-(pent-4-yn-2-ylamino)ethyl]phenol
CID 104582819
5-fluoro-2-[1-(1-methylsulfinylpropan-2-ylamino)ethyl]phenol
CID 104584218
5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol
CID 63064953
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide
CID 63067468
2-[1-(hexan-2-ylamino)ethyl]-5-methylphenol
CID 62196420
5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
CID 63067487
5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
CID 55148602
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol
CID 63065853

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol (CID 63066533) is 5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol is CC(C)CCCC(C)NC(C)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol?
The InChIKey is CDZMTTDYNPILAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-11(2)6-5-7-12(3)18-13(4)15-9-8-14(17)10-16(15)19/h8-13,18-19H,5-7H2,1-4H3.
What are the key properties of 5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol?
5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol has a molecular weight of 267.39 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 63066533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).