N-[(2-fluorophenyl)methyl]-2-pentoxyaniline

C18H22FNO — CID 83961637

IUPACN-[(2-fluorophenyl)methyl]-2-pentoxyaniline
SMILESCCCCCOc1ccccc1NCc1ccccc1F
InChIInChI=1S/C18H22FNO/c1-2-3-8-13-21-18-12-7-6-11-17(18)20-14-15-9-4-5-10-16(15)19/h4-7,9-12,20H,2-3,8,13-14H2,1H3
InChIKeyRKPANWKRWFGVSJ-UHFFFAOYSA-N
MW287.38 g/mol
LogP5.01
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-2-pentoxyaniline

N-[(2-fluorophenyl)methyl]-2-pentoxyaniline (PubChem CID 83961637) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-pentoxyaniline.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-pentoxyaniline
PubChem CID83961637
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(2-fluorophenyl)methyl]-2-pentoxyaniline
SMILESCCCCCOc1ccccc1NCc1ccccc1F
InChIInChI=1S/C18H22FNO/c1-2-3-8-13-21-18-12-7-6-11-17(18)20-14-15-9-4-5-10-16(15)19/h4-7,9-12,20H,2-3,8,13-14H2,1H3
InChIKeyRKPANWKRWFGVSJ-UHFFFAOYSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.38
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-fluorophenyl)methyl]-2-pentoxyaniline 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

2-fluoro-N-[(2-propoxyphenyl)methyl]aniline
CID 39360343
2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54801593
N-[(5-bromo-2-fluorophenyl)methyl]-2-propoxyaniline
CID 43682226
4-fluoro-N-[(2-pentoxyphenyl)methyl]aniline
CID 54796466
N-[(2-butoxy-3-methoxyphenyl)methyl]-2-fluoroaniline
CID 39430192
N-[(2-hexoxyphenyl)methyl]-2,3-dimethylaniline
CID 54797773
4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine
CID 63592209
2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54801329
N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54808512
N-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline
CID 83961565
4-[(2-propoxyanilino)methyl]benzene-1,3-diol
CID 43682277
2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline
CID 39392801

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-pentoxyaniline?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-pentoxyaniline (CID 83961637) is N-[(2-fluorophenyl)methyl]-2-pentoxyaniline.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-pentoxyaniline?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-pentoxyaniline is CCCCCOc1ccccc1NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-pentoxyaniline?
The InChIKey is RKPANWKRWFGVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-2-3-8-13-21-18-12-7-6-11-17(18)20-14-15-9-4-5-10-16(15)19/h4-7,9-12,20H,2-3,8,13-14H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-pentoxyaniline?
N-[(2-fluorophenyl)methyl]-2-pentoxyaniline has a molecular weight of 287.38 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-pentoxyaniline is sourced from PubChem (CID 83961637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).