2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine

C15H24FN — CID 66243831

IUPAC2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(c1cccc(F)c1)C(C)C
InChIInChI=1S/C15H24FN/c1-11(2)9-17-10-15(12(3)4)13-6-5-7-14(16)8-13/h5-8,11-12,15,17H,9-10H2,1-4H3
InChIKeyZZBANMZUGOPFIB-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.81
Rot. Bonds6

About 2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine

2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 66243831) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID66243831
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(c1cccc(F)c1)C(C)C
InChIInChI=1S/C15H24FN/c1-11(2)9-17-10-15(12(3)4)13-6-5-7-14(16)8-13/h5-8,11-12,15,17H,9-10H2,1-4H3
InChIKeyZZBANMZUGOPFIB-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
1-fluoro-3-(2-methylpentan-3-yl)benzene
CID 20795498
2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine
CID 79440359
2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 79440050
N-chloro-3-(3-fluorophenyl)-4-methylpentan-1-amine
CID 154525858
N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 82932645
2-(3-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 79441196
N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 79432215
2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66242392
2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 79446365
2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138561
3-(3-fluorophenyl)-N-methylpentan-2-amine
CID 114873130

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 66243831) is 2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(c1cccc(F)c1)C(C)C.
What is the InChIKey of 2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is ZZBANMZUGOPFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-11(2)9-17-10-15(12(3)4)13-6-5-7-14(16)8-13/h5-8,11-12,15,17H,9-10H2,1-4H3.
What are the key properties of 2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 66243831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).