N-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine

C14H22FN — CID 105376275

IUPACN-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine
SMILESCCNCCC(C)Cc1cc(F)ccc1C
InChIInChI=1S/C14H22FN/c1-4-16-8-7-11(2)9-13-10-14(15)6-5-12(13)3/h5-6,10-11,16H,4,7-9H2,1-3H3
InChIKeyUGXWPLRODIETGF-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.31
Rot. Bonds6

About N-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine

N-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine (PubChem CID 105376275) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is N-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine
PubChem CID105376275
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC NameN-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine
SMILESCCNCCC(C)Cc1cc(F)ccc1C
InChIInChI=1S/C14H22FN/c1-4-16-8-7-11(2)9-13-10-14(15)6-5-12(13)3/h5-6,10-11,16H,4,7-9H2,1-3H3
InChIKeyUGXWPLRODIETGF-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine
CID 81019266
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
4-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 114862631
N-ethyl-1-(5-fluoro-2-methylphenyl)hexan-2-amine
CID 105374122
1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 105373704
4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one
CID 105376564
3-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 105373925
4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
CID 105372310
2-(3-bromo-2-ethylbutyl)-4-fluoro-1-methylbenzene
CID 105374724
3-chloro-N-[(5-fluoro-2-methylphenyl)methyl]pentan-1-amine
CID 105375279
2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine
CID 105374860
4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 105375543

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine (CID 105376275) is N-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine is CCNCCC(C)Cc1cc(F)ccc1C.
What is the InChIKey of N-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine?
The InChIKey is UGXWPLRODIETGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-16-8-7-11(2)9-13-10-14(15)6-5-12(13)3/h5-6,10-11,16H,4,7-9H2,1-3H3.
What are the key properties of N-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine?
N-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 105376275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).