N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine

C18H30FN — CID 83168684

IUPACN-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine
SMILESCC(C)CCCC(CNC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C18H30FN/c1-14(2)7-6-8-16(13-20-18(3,4)5)15-9-11-17(19)12-10-15/h9-12,14,16,20H,6-8,13H2,1-5H3
InChIKeyYJPLBLFWGUJQLL-UHFFFAOYSA-N
MW279.44 g/mol
LogP5.12
Rot. Bonds7

About N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine

N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine (PubChem CID 83168684) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine
PubChem CID83168684
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC NameN-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine
SMILESCC(C)CCCC(CNC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C18H30FN/c1-14(2)7-6-8-16(13-20-18(3,4)5)15-9-11-17(19)12-10-15/h9-12,14,16,20H,6-8,13H2,1-5H3
InChIKeyYJPLBLFWGUJQLL-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine
CID 83168805
N-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine
CID 79438111
2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine
CID 83169177
N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79437531
2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83169540
N-tert-butyl-2-(3-chlorophenyl)-6-methylheptan-1-amine
CID 83169178
N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79441221
N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine
CID 79431603
2-(4-fluorophenyl)-N-methylhexan-1-amine
CID 79442456
N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine
CID 113474239
2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437714
N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine
CID 79438523

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine?
The IUPAC name of N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine (CID 83168684) is N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine?
The canonical SMILES for N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine is CC(C)CCCC(CNC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine?
The InChIKey is YJPLBLFWGUJQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-14(2)7-6-8-16(13-20-18(3,4)5)15-9-11-17(19)12-10-15/h9-12,14,16,20H,6-8,13H2,1-5H3.
What are the key properties of N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine?
N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine has a molecular weight of 279.44 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine is sourced from PubChem (CID 83168684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).