2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine

C18H30FN — CID 79440050

IUPAC2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
SMILESCC(C)CNCC(CCC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C18H30FN/c1-14(2)12-20-13-16(9-10-18(3,4)5)15-7-6-8-17(19)11-15/h6-8,11,14,16,20H,9-10,12-13H2,1-5H3
InChIKeySRJDOIPDDKVXMA-UHFFFAOYSA-N
MW279.44 g/mol
LogP4.98
Rot. Bonds7

About 2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine

2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine (PubChem CID 79440050) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
PubChem CID79440050
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC Name2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
SMILESCC(C)CNCC(CCC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C18H30FN/c1-14(2)12-20-13-16(9-10-18(3,4)5)15-7-6-8-17(19)11-15/h6-8,11,14,16,20H,9-10,12-13H2,1-5H3
InChIKeySRJDOIPDDKVXMA-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 79441196
2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine
CID 79440359
N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79440289
N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79441221
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66243831
N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 79432215
N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine
CID 79417284
2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 79442599
2-(3-chlorophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 79442795
N-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine
CID 103036910
5,5-dimethyl-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 79416848

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine (CID 79440050) is 2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine is CC(C)CNCC(CCC(C)(C)C)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is SRJDOIPDDKVXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-14(2)12-20-13-16(9-10-18(3,4)5)15-7-6-8-17(19)11-15/h6-8,11,14,16,20H,9-10,12-13H2,1-5H3.
What are the key properties of 2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine?
2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 279.44 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 79440050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).