N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine

C15H24FN — CID 79440289

IUPACN-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
SMILESCCNCC(CCC(C)C)c1cccc(F)c1
InChIInChI=1S/C15H24FN/c1-4-17-11-14(9-8-12(2)3)13-6-5-7-15(16)10-13/h5-7,10,12,14,17H,4,8-9,11H2,1-3H3
InChIKeySCBXNKFLFFNIGK-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.95
Rot. Bonds7

About N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine

N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine (PubChem CID 79440289) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
PubChem CID79440289
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
SMILESCCNCC(CCC(C)C)c1cccc(F)c1
InChIInChI=1S/C15H24FN/c1-4-17-11-14(9-8-12(2)3)13-6-5-7-15(16)10-13/h5-7,10,12,14,17H,4,8-9,11H2,1-3H3
InChIKeySCBXNKFLFFNIGK-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79441221
2-(3-fluorophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79432439
2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 79440050
N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444
2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine
CID 79440359
3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 79440215
2-(3-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 79441196
N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine
CID 83182511
3-(4-chloro-2-fluorophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 114858835
N-ethyl-2-(3-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871673
2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457125
2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 79440674

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine?
The IUPAC name of N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine (CID 79440289) is N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine?
The canonical SMILES for N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine is CCNCC(CCC(C)C)c1cccc(F)c1.
What is the InChIKey of N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine?
The InChIKey is SCBXNKFLFFNIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-4-17-11-14(9-8-12(2)3)13-6-5-7-15(16)10-13/h5-7,10,12,14,17H,4,8-9,11H2,1-3H3.
What are the key properties of N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine?
N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine is sourced from PubChem (CID 79440289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).