2-fluoro-4-[(5-methylhexylamino)methyl]aniline

C14H23FN2 — CID 113287600

IUPAC2-fluoro-4-[(5-methylhexylamino)methyl]aniline
SMILESCC(C)CCCCNCc1ccc(N)c(F)c1
InChIInChI=1S/C14H23FN2/c1-11(2)5-3-4-8-17-10-12-6-7-14(16)13(15)9-12/h6-7,9,11,17H,3-5,8,10,16H2,1-2H3
InChIKeyHMMJRMPYHDOCII-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.32
Rot. Bonds7

About 2-fluoro-4-[(5-methylhexylamino)methyl]aniline

2-fluoro-4-[(5-methylhexylamino)methyl]aniline (PubChem CID 113287600) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-fluoro-4-[(5-methylhexylamino)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[(5-methylhexylamino)methyl]aniline
PubChem CID113287600
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-fluoro-4-[(5-methylhexylamino)methyl]aniline
SMILESCC(C)CCCCNCc1ccc(N)c(F)c1
InChIInChI=1S/C14H23FN2/c1-11(2)5-3-4-8-17-10-12-6-7-14(16)13(15)9-12/h6-7,9,11,17H,3-5,8,10,16H2,1-2H3
InChIKeyHMMJRMPYHDOCII-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-[(5,5,5-trifluoropentylamino)methyl]aniline
CID 113327736
5-methyl-N-[(4-methylsulfanylphenyl)methyl]hexan-1-amine
CID 113287353
5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115325146
6-[(5-methylhexylamino)methyl]-1,3-benzothiazol-2-amine
CID 115325959
4-[(5-methylhexylamino)methyl]benzamide
CID 79002955
3-bromo-5-[(5-methylhexylamino)methyl]aniline
CID 113287591
N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine
CID 113287343
N-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine
CID 60689891
N-[(3-chloro-4-methylphenyl)methyl]-4-methylpentan-1-amine
CID 106816670
5-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]hexan-1-amine
CID 115324925
4-[2-(5-methylhexylamino)ethyl]aniline
CID 115326174
N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine
CID 79978978

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(5-methylhexylamino)methyl]aniline?
The IUPAC name of 2-fluoro-4-[(5-methylhexylamino)methyl]aniline (CID 113287600) is 2-fluoro-4-[(5-methylhexylamino)methyl]aniline.
What is the SMILES notation for 2-fluoro-4-[(5-methylhexylamino)methyl]aniline?
The canonical SMILES for 2-fluoro-4-[(5-methylhexylamino)methyl]aniline is CC(C)CCCCNCc1ccc(N)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(5-methylhexylamino)methyl]aniline?
The InChIKey is HMMJRMPYHDOCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-11(2)5-3-4-8-17-10-12-6-7-14(16)13(15)9-12/h6-7,9,11,17H,3-5,8,10,16H2,1-2H3.
What are the key properties of 2-fluoro-4-[(5-methylhexylamino)methyl]aniline?
2-fluoro-4-[(5-methylhexylamino)methyl]aniline has a molecular weight of 238.35 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(5-methylhexylamino)methyl]aniline is sourced from PubChem (CID 113287600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).