3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine

C14H22FN — CID 114833983

IUPAC3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
SMILESCCC(CC)C(C)(N)Cc1cccc(F)c1
InChIInChI=1S/C14H22FN/c1-4-12(5-2)14(3,16)10-11-7-6-8-13(15)9-11/h6-9,12H,4-5,10,16H2,1-3H3
InChIKeyQUWPKVMCVSRFSA-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.52
Rot. Bonds5

About 3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine

3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine (PubChem CID 114833983) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
PubChem CID114833983
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
SMILESCCC(CC)C(C)(N)Cc1cccc(F)c1
InChIInChI=1S/C14H22FN/c1-4-12(5-2)14(3,16)10-11-7-6-8-13(15)9-11/h6-9,12H,4-5,10,16H2,1-3H3
InChIKeyQUWPKVMCVSRFSA-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
2-cyclopentyl-1-(3-fluorophenyl)propan-2-amine
CID 114834091
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017
3,3-difluoro-4-(3-fluorophenyl)butan-2-amine
CID 105455070
5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
CID 114834078
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 114831044
2-(2-bromophenyl)-1-(3-fluorophenyl)propan-2-amine
CID 60799082
1-fluoro-3-[(2S)-2-methylbutyl]benzene
CID 125477231
1-(3-fluorophenyl)-2-(2-methylthiophen-3-yl)propan-2-amine
CID 102830555

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine?
The IUPAC name of 3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine (CID 114833983) is 3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine.
What is the SMILES notation for 3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine?
The canonical SMILES for 3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine is CCC(CC)C(C)(N)Cc1cccc(F)c1.
What is the InChIKey of 3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine?
The InChIKey is QUWPKVMCVSRFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-12(5-2)14(3,16)10-11-7-6-8-13(15)9-11/h6-9,12H,4-5,10,16H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine?
3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine has a molecular weight of 223.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine is sourced from PubChem (CID 114833983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).