3-fluoro-N-heptan-3-yl-4-methoxyaniline

C14H22FNO — CID 63944319

IUPAC3-fluoro-N-heptan-3-yl-4-methoxyaniline
SMILESCCCCC(CC)Nc1ccc(OC)c(F)c1
InChIInChI=1S/C14H22FNO/c1-4-6-7-11(5-2)16-12-8-9-14(17-3)13(15)10-12/h8-11,16H,4-7H2,1-3H3
InChIKeyBRJCASVNNHZCIE-UHFFFAOYSA-N
MW239.33 g/mol
LogP4.22
Rot. Bonds7

About 3-fluoro-N-heptan-3-yl-4-methoxyaniline

3-fluoro-N-heptan-3-yl-4-methoxyaniline (PubChem CID 63944319) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 3-fluoro-N-heptan-3-yl-4-methoxyaniline.

Molecular Properties

Compound Name3-fluoro-N-heptan-3-yl-4-methoxyaniline
PubChem CID63944319
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name3-fluoro-N-heptan-3-yl-4-methoxyaniline
SMILESCCCCC(CC)Nc1ccc(OC)c(F)c1
InChIInChI=1S/C14H22FNO/c1-4-6-7-11(5-2)16-12-8-9-14(17-3)13(15)10-12/h8-11,16H,4-7H2,1-3H3
InChIKeyBRJCASVNNHZCIE-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-fluoro-N-heptan-3-yl-4-methoxyaniline 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

3-fluoro-4-methoxy-N-undecan-6-ylaniline
CID 43775903
4-fluoro-N-heptan-3-yl-3-methoxyaniline
CID 114838067
3-fluoro-N-heptan-3-yl-4-methylaniline
CID 63944501
3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline
CID 43775902
4-ethoxy-3-fluoro-N-hexan-3-ylaniline
CID 114079602
N-decyl-3-fluoro-4-methoxyaniline
CID 63489598
N-(1-cyclopropylpropyl)-3-fluoro-4-methoxyaniline
CID 64918809
2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide
CID 43380763
2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine
CID 114137996
3-fluoro-4-methoxy-N-(2-methylpentyl)aniline
CID 43380460
N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119664954
N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119664953

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-heptan-3-yl-4-methoxyaniline?
The IUPAC name of 3-fluoro-N-heptan-3-yl-4-methoxyaniline (CID 63944319) is 3-fluoro-N-heptan-3-yl-4-methoxyaniline.
What is the SMILES notation for 3-fluoro-N-heptan-3-yl-4-methoxyaniline?
The canonical SMILES for 3-fluoro-N-heptan-3-yl-4-methoxyaniline is CCCCC(CC)Nc1ccc(OC)c(F)c1.
What is the InChIKey of 3-fluoro-N-heptan-3-yl-4-methoxyaniline?
The InChIKey is BRJCASVNNHZCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-6-7-11(5-2)16-12-8-9-14(17-3)13(15)10-12/h8-11,16H,4-7H2,1-3H3.
What are the key properties of 3-fluoro-N-heptan-3-yl-4-methoxyaniline?
3-fluoro-N-heptan-3-yl-4-methoxyaniline has a molecular weight of 239.33 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-heptan-3-yl-4-methoxyaniline is sourced from PubChem (CID 63944319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).