2-fluoro-N,N-bis(prop-2-enyl)-5-[(prop-2-enylamino)methyl]aniline

C16H21FN2 — CID 84753592

IUPAC2-fluoro-N,N-bis(prop-2-enyl)-5-[(prop-2-enylamino)methyl]aniline
SMILESC=CCNCc1ccc(F)c(N(CC=C)CC=C)c1
InChIInChI=1S/C16H21FN2/c1-4-9-18-13-14-7-8-15(17)16(12-14)19(10-5-2)11-6-3/h4-8,12,18H,1-3,9-11,13H2
InChIKeyMPSORYLJMULBJK-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.28
Rot. Bonds9

About 2-fluoro-N,N-bis(prop-2-enyl)-5-[(prop-2-enylamino)methyl]aniline

2-fluoro-N,N-bis(prop-2-enyl)-5-[(prop-2-enylamino)methyl]aniline (PubChem CID 84753592) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-fluoro-N,N-bis(prop-2-enyl)-5-[(prop-2-enylamino)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N,N-bis(prop-2-enyl)-5-[(prop-2-enylamino)methyl]aniline
PubChem CID84753592
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name2-fluoro-N,N-bis(prop-2-enyl)-5-[(prop-2-enylamino)methyl]aniline
SMILESC=CCNCc1ccc(F)c(N(CC=C)CC=C)c1
InChIInChI=1S/C16H21FN2/c1-4-9-18-13-14-7-8-15(17)16(12-14)19(10-5-2)11-6-3/h4-8,12,18H,1-3,9-11,13H2
InChIKeyMPSORYLJMULBJK-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-ethyl-2-fluoro-5-[(prop-2-enylamino)methyl]aniline
CID 84753418
N-butyl-2-fluoro-N-methyl-5-[(prop-2-enylamino)methyl]aniline
CID 84753849
2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline
CID 84749230
5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline
CID 84753347
3-[N-ethyl-5-(ethylaminomethyl)-2-fluoroanilino]propanoic acid
CID 84754002
2-ethoxy-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)aniline
CID 84749223
3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
CID 84753642
2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid
CID 84753673
N,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline
CID 84753702
2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline
CID 84753345
N'-[5-[[bis(prop-2-enyl)amino]methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine
CID 84753207
prop-2-enamide;4-[(prop-2-enylamino)methyl]benzene-1,2-diol
CID 175227935

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-bis(prop-2-enyl)-5-[(prop-2-enylamino)methyl]aniline?
The IUPAC name of 2-fluoro-N,N-bis(prop-2-enyl)-5-[(prop-2-enylamino)methyl]aniline (CID 84753592) is 2-fluoro-N,N-bis(prop-2-enyl)-5-[(prop-2-enylamino)methyl]aniline.
What is the SMILES notation for 2-fluoro-N,N-bis(prop-2-enyl)-5-[(prop-2-enylamino)methyl]aniline?
The canonical SMILES for 2-fluoro-N,N-bis(prop-2-enyl)-5-[(prop-2-enylamino)methyl]aniline is C=CCNCc1ccc(F)c(N(CC=C)CC=C)c1.
What is the InChIKey of 2-fluoro-N,N-bis(prop-2-enyl)-5-[(prop-2-enylamino)methyl]aniline?
The InChIKey is MPSORYLJMULBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-4-9-18-13-14-7-8-15(17)16(12-14)19(10-5-2)11-6-3/h4-8,12,18H,1-3,9-11,13H2.
What are the key properties of 2-fluoro-N,N-bis(prop-2-enyl)-5-[(prop-2-enylamino)methyl]aniline?
2-fluoro-N,N-bis(prop-2-enyl)-5-[(prop-2-enylamino)methyl]aniline has a molecular weight of 260.36 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-bis(prop-2-enyl)-5-[(prop-2-enylamino)methyl]aniline is sourced from PubChem (CID 84753592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).