N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine

C14H22FN — CID 60928177

IUPACN-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1ccccc1F)C(C)C
InChIInChI=1S/C14H22FN/c1-5-14(10(2)3)16-11(4)12-8-6-7-9-13(12)15/h6-11,14,16H,5H2,1-4H3
InChIKeyVYNXHADGAOAMPX-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.91
Rot. Bonds5

About N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine

N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine (PubChem CID 60928177) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
PubChem CID60928177
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1ccccc1F)C(C)C
InChIInChI=1S/C14H22FN/c1-5-14(10(2)3)16-11(4)12-8-6-7-9-13(12)15/h6-11,14,16H,5H2,1-4H3
InChIKeyVYNXHADGAOAMPX-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 81378481
N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43766762
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine
CID 43787074
1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 64918420
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid
CID 81380426
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 112700466
1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 81380496
(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81375681
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
CID 60664124
3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol
CID 103948533

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine (CID 60928177) is N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine is CCC(NC(C)c1ccccc1F)C(C)C.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine?
The InChIKey is VYNXHADGAOAMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-5-14(10(2)3)16-11(4)12-8-6-7-9-13(12)15/h6-11,14,16H,5H2,1-4H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine?
N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine has a molecular weight of 223.34 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine is sourced from PubChem (CID 60928177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).