N-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine

C14H22FNO — CID 63937396

IUPACN-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine
SMILESCCC(CC)NCCOCc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-3-13(4-2)16-9-10-17-11-12-7-5-6-8-14(12)15/h5-8,13,16H,3-4,9-11H2,1-2H3
InChIKeyYYZCXTIPGKFVGL-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.12
Rot. Bonds8

About N-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine

N-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine (PubChem CID 63937396) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine
PubChem CID63937396
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine
SMILESCCC(CC)NCCOCc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-3-13(4-2)16-9-10-17-11-12-7-5-6-8-14(12)15/h5-8,13,16H,3-4,9-11H2,1-2H3
InChIKeyYYZCXTIPGKFVGL-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-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

1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine
CID 63935309
N-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63937397
N-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine
CID 63935925
1-fluoro-2-(3-methylbutoxymethyl)benzene
CID 91704397
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
1-fluoro-2-(2-methylbutoxymethyl)benzene
CID 91704394
N-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63936379
5-[(2-fluorophenyl)methoxy]-N-propylpentan-1-amine
CID 63937972
N-[2-[(2-bromophenyl)methoxy]ethyl]butan-2-amine
CID 82825030
1-[2-(bromomethyl)butoxymethyl]-2-fluorobenzene
CID 65000075
3-[(2-fluorophenyl)methoxy]propan-1-ol
CID 23325115
1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469296

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine?
The IUPAC name of N-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine (CID 63937396) is N-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine?
The canonical SMILES for N-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine is CCC(CC)NCCOCc1ccccc1F.
What is the InChIKey of N-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine?
The InChIKey is YYZCXTIPGKFVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-13(4-2)16-9-10-17-11-12-7-5-6-8-14(12)15/h5-8,13,16H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine?
N-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine has a molecular weight of 239.33 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine is sourced from PubChem (CID 63937396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).