N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine

C16H26FN — CID 65308639

IUPACN-tert-butyl-6-(4-fluorophenyl)hexan-1-amine
SMILESCC(C)(C)NCCCCCCc1ccc(F)cc1
InChIInChI=1S/C16H26FN/c1-16(2,3)18-13-7-5-4-6-8-14-9-11-15(17)12-10-14/h9-12,18H,4-8,13H2,1-3H3
InChIKeyZQMILZRXMPYQJD-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.32
Rot. Bonds7

About N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine

N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine (PubChem CID 65308639) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(4-fluorophenyl)hexan-1-amine
PubChem CID65308639
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC NameN-tert-butyl-6-(4-fluorophenyl)hexan-1-amine
SMILESCC(C)(C)NCCCCCCc1ccc(F)cc1
InChIInChI=1S/C16H26FN/c1-16(2,3)18-13-7-5-4-6-8-14-9-11-15(17)12-10-14/h9-12,18H,4-8,13H2,1-3H3
InChIKeyZQMILZRXMPYQJD-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-6-(4-ethylphenyl)hexan-1-amine
CID 65308895
N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine
CID 65305552
N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine
CID 71049243
N-tert-butyl-4-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine
CID 66260180
6-(4-fluorophenyl)-N-propylhexan-1-amine
CID 65308488
5-(4-fluorophenyl)-N-propylpentan-1-amine
CID 65300450
N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 58997646
N-tert-butyl-4-(6-methyl-3-pyridinyl)butan-1-amine
CID 104823808
4-[4-(tert-butylamino)butyl]benzene-1,2-diol;hydrobromide
CID 71379239
N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine
CID 65305391
N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine
CID 113405378
1-(5-chloropentyl)-4-fluorobenzene
CID 57030730

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine?
The IUPAC name of N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine (CID 65308639) is N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine.
What is the SMILES notation for N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine?
The canonical SMILES for N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine is CC(C)(C)NCCCCCCc1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine?
The InChIKey is ZQMILZRXMPYQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-16(2,3)18-13-7-5-4-6-8-14-9-11-15(17)12-10-14/h9-12,18H,4-8,13H2,1-3H3.
What are the key properties of N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine?
N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine is sourced from PubChem (CID 65308639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).