N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine

C16H26FN — CID 114282092

IUPACN-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCCNC(c1ccccc1F)C(C(C)C)C(C)C
InChIInChI=1S/C16H26FN/c1-6-18-16(15(11(2)3)12(4)5)13-9-7-8-10-14(13)17/h7-12,15-16,18H,6H2,1-5H3
InChIKeyRADZOIJDBLISOC-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.40
Rot. Bonds6

About N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine

N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 114282092) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID114282092
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC NameN-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCCNC(c1ccccc1F)C(C(C)C)C(C)C
InChIInChI=1S/C16H26FN/c1-6-18-16(15(11(2)3)12(4)5)13-9-7-8-10-14(13)17/h7-12,15-16,18H,6H2,1-5H3
InChIKeyRADZOIJDBLISOC-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679791
N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine
CID 115827935
N-ethyl-1-(2-fluorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66447023
N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine
CID 116773160
2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol
CID 104554579
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine
CID 115996740
2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 116721271
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017616
N'-(2-ethoxyethyl)-N-ethyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115997007
N-ethyl-2-(2-fluorophenyl)hexan-3-amine
CID 83051211
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 115996957

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine (CID 114282092) is N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine is CCNC(c1ccccc1F)C(C(C)C)C(C)C.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is RADZOIJDBLISOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-6-18-16(15(11(2)3)12(4)5)13-9-7-8-10-14(13)17/h7-12,15-16,18H,6H2,1-5H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine?
N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 114282092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).