N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine

C17H28FN — CID 79441221

IUPACN-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
SMILESCC(C)CCC(CNC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C17H28FN/c1-13(2)9-10-15(12-19-17(3,4)5)14-7-6-8-16(18)11-14/h6-8,11,13,15,19H,9-10,12H2,1-5H3
InChIKeyWVEJIVACFUEOBO-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.73
Rot. Bonds6

About N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine

N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine (PubChem CID 79441221) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
PubChem CID79441221
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC NameN-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
SMILESCC(C)CCC(CNC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C17H28FN/c1-13(2)9-10-15(12-19-17(3,4)5)14-7-6-8-16(18)11-14/h6-8,11,13,15,19H,9-10,12H2,1-5H3
InChIKeyWVEJIVACFUEOBO-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457134
N-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine
CID 103036910
N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79440289
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 79440050
N-tert-butyl-2-(3-chlorophenyl)-6-methylheptan-1-amine
CID 83169178
N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83168684
N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine
CID 64663958
N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62108475
2-(3-bromophenyl)-N-tert-butyl-4-(2-methylpropoxy)butan-1-amine
CID 106457162
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155543
2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 79440674

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine?
The IUPAC name of N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine (CID 79441221) is N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine?
The canonical SMILES for N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine is CC(C)CCC(CNC(C)(C)C)c1cccc(F)c1.
What is the InChIKey of N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine?
The InChIKey is WVEJIVACFUEOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-13(2)9-10-15(12-19-17(3,4)5)14-7-6-8-16(18)11-14/h6-8,11,13,15,19H,9-10,12H2,1-5H3.
What are the key properties of N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine?
N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine is sourced from PubChem (CID 79441221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).