2-fluoro-6-[4-(methylamino)but-1-ynyl]aniline

C11H13FN2 — CID 170463998

IUPAC2-fluoro-6-[4-(methylamino)but-1-ynyl]aniline
SMILESCNCCC#Cc1cccc(F)c1N
InChIInChI=1S/C11H13FN2/c1-14-8-3-2-5-9-6-4-7-10(12)11(9)13/h4,6-7,14H,3,8,13H2,1H3
InChIKeyCFPIVMDBJQKQNK-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.37
Rot. Bonds2

About 2-fluoro-6-[4-(methylamino)but-1-ynyl]aniline

2-fluoro-6-[4-(methylamino)but-1-ynyl]aniline (PubChem CID 170463998) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-fluoro-6-[4-(methylamino)but-1-ynyl]aniline.

Molecular Properties

Compound Name2-fluoro-6-[4-(methylamino)but-1-ynyl]aniline
PubChem CID170463998
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name2-fluoro-6-[4-(methylamino)but-1-ynyl]aniline
SMILESCNCCC#Cc1cccc(F)c1N
InChIInChI=1S/C11H13FN2/c1-14-8-3-2-5-9-6-4-7-10(12)11(9)13/h4,6-7,14H,3,8,13H2,1H3
InChIKeyCFPIVMDBJQKQNK-UHFFFAOYSA-N
XLogP1.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.37
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-3-fluorophenyl)-N-methylbut-3-yn-1-amine
CID 170463861
2-(4-bromobut-1-ynyl)-6-fluoroaniline
CID 170465773
2-fluoro-6-[4-(methylamino)but-1-ynyl]benzaldehyde
CID 170464205
2-[4-(methylamino)but-1-ynyl]phenol
CID 170463739
4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine
CID 170463916
4-[2-(difluoromethoxy)-6-fluorophenyl]-N-methylbut-3-yn-1-amine
CID 170464868
2-[4-(methylamino)but-1-ynyl]benzenecarbothioamide
CID 170464293
4-[2-(aminomethyl)-5-fluorophenyl]-N-methylbut-3-yn-1-amine
CID 170464291
3-fluoro-4-[4-(methylamino)but-1-ynyl]benzaldehyde
CID 170464193
2-hydroxy-3-[4-(methylamino)but-1-ynyl]benzaldehyde
CID 170464151
4-amino-2-[4-(methylamino)but-1-ynyl]phenol
CID 170464058
2,4-difluoro-6-[4-(methylamino)but-1-ynyl]phenol
CID 170464240

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-(methylamino)but-1-ynyl]aniline?
The IUPAC name of 2-fluoro-6-[4-(methylamino)but-1-ynyl]aniline (CID 170463998) is 2-fluoro-6-[4-(methylamino)but-1-ynyl]aniline.
What is the SMILES notation for 2-fluoro-6-[4-(methylamino)but-1-ynyl]aniline?
The canonical SMILES for 2-fluoro-6-[4-(methylamino)but-1-ynyl]aniline is CNCCC#Cc1cccc(F)c1N.
What is the InChIKey of 2-fluoro-6-[4-(methylamino)but-1-ynyl]aniline?
The InChIKey is CFPIVMDBJQKQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-14-8-3-2-5-9-6-4-7-10(12)11(9)13/h4,6-7,14H,3,8,13H2,1H3.
What are the key properties of 2-fluoro-6-[4-(methylamino)but-1-ynyl]aniline?
2-fluoro-6-[4-(methylamino)but-1-ynyl]aniline has a molecular weight of 192.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-(methylamino)but-1-ynyl]aniline is sourced from PubChem (CID 170463998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).