N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine

C14H22FNO — CID 43757588

IUPACN-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
SMILESCCCCCNC(C)c1ccc(OC)cc1F
InChIInChI=1S/C14H22FNO/c1-4-5-6-9-16-11(2)13-8-7-12(17-3)10-14(13)15/h7-8,10-11,16H,4-6,9H2,1-3H3
InChIKeyAHCGHUYLEYLPEB-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.68
Rot. Bonds7

About N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine

N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine (PubChem CID 43757588) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
PubChem CID43757588
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
SMILESCCCCCNC(C)c1ccc(OC)cc1F
InChIInChI=1S/C14H22FNO/c1-4-5-6-9-16-11(2)13-8-7-12(17-3)10-14(13)15/h7-8,10-11,16H,4-6,9H2,1-3H3
InChIKeyAHCGHUYLEYLPEB-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 60894649
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715357
N'-butan-2-yl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 103780751
N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine
CID 82963081
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 55108756
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol
CID 113492017
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43767010
1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903726
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906152
1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 60924375

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine?
The IUPAC name of N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine (CID 43757588) is N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine.
What is the SMILES notation for N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine?
The canonical SMILES for N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine is CCCCCNC(C)c1ccc(OC)cc1F.
What is the InChIKey of N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine?
The InChIKey is AHCGHUYLEYLPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-5-6-9-16-11(2)13-8-7-12(17-3)10-14(13)15/h7-8,10-11,16H,4-6,9H2,1-3H3.
What are the key properties of N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine?
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine is sourced from PubChem (CID 43757588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).