N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine

C18H30FNO — CID 43100590

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine
SMILESCOc1ccc(C(C)NCCCCCCC(C)C)cc1F
InChIInChI=1S/C18H30FNO/c1-14(2)9-7-5-6-8-12-20-15(3)16-10-11-18(21-4)17(19)13-16/h10-11,13-15,20H,5-9,12H2,1-4H3
InChIKeyJJYZBDHAUKPFGA-UHFFFAOYSA-N
MW295.44 g/mol
LogP5.09
Rot. Bonds10

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine (PubChem CID 43100590) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine
PubChem CID43100590
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine
SMILESCOc1ccc(C(C)NCCCCCCC(C)C)cc1F
InChIInChI=1S/C18H30FNO/c1-14(2)9-7-5-6-8-12-20-15(3)16-10-11-18(21-4)17(19)13-16/h10-11,13-15,20H,5-9,12H2,1-4H3
InChIKeyJJYZBDHAUKPFGA-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 115721453
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
1-(3-fluoro-4-methoxyphenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 60697209
N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine
CID 43098047
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60697208
N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208198
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]pentan-1-amine
CID 82993667
N-[(1S)-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 28702275
N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635886
1-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976045
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 115897048
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine (CID 43100590) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine is COc1ccc(C(C)NCCCCCCC(C)C)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine?
The InChIKey is JJYZBDHAUKPFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-14(2)9-7-5-6-8-12-20-15(3)16-10-11-18(21-4)17(19)13-16/h10-11,13-15,20H,5-9,12H2,1-4H3.
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine has a molecular weight of 295.44 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine is sourced from PubChem (CID 43100590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).