N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine

C14H22FN — CID 83157209

IUPACN-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
SMILESCC(C)CCCNCCc1cccc(F)c1
InChIInChI=1S/C14H22FN/c1-12(2)5-4-9-16-10-8-13-6-3-7-14(15)11-13/h3,6-7,11-12,16H,4-5,8-10H2,1-2H3
InChIKeyNVYRTKLOOAAMIY-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.39
Rot. Bonds7

About N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine

N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine (PubChem CID 83157209) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
PubChem CID83157209
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
SMILESCC(C)CCCNCCc1cccc(F)c1
InChIInChI=1S/C14H22FN/c1-12(2)5-4-9-16-10-8-13-6-3-7-14(15)11-13/h3,6-7,11-12,16H,4-5,8-10H2,1-2H3
InChIKeyNVYRTKLOOAAMIY-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.39
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'-[2-(3-fluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202153
4-[2-(3-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 115220897
N-[2-(3-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202786
3,3-diethoxy-N-[2-(3-fluorophenyl)ethyl]propan-1-amine
CID 81093421
1-N-[(3-fluorophenyl)methyl]pentane-1,4-diamine
CID 115203879
2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine
CID 63488379
N-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine
CID 104806276
N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 43566239
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045
N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 43565886
N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide
CID 103605841
2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43566240

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine (CID 83157209) is N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine is CC(C)CCCNCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine?
The InChIKey is NVYRTKLOOAAMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-12(2)5-4-9-16-10-8-13-6-3-7-14(15)11-13/h3,6-7,11-12,16H,4-5,8-10H2,1-2H3.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine?
N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine is sourced from PubChem (CID 83157209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).