5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline

C15H25FN2 — CID 84753347

IUPAC5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline
SMILESCCCN(CCC)c1cc(CNCC)ccc1F
InChIInChI=1S/C15H25FN2/c1-4-9-18(10-5-2)15-11-13(12-17-6-3)7-8-14(15)16/h7-8,11,17H,4-6,9-10,12H2,1-3H3
InChIKeyZZSPSXVXDQOLRI-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.56
Rot. Bonds8

About 5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline

5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline (PubChem CID 84753347) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline
PubChem CID84753347
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline
SMILESCCCN(CCC)c1cc(CNCC)ccc1F
InChIInChI=1S/C15H25FN2/c1-4-9-18(10-5-2)15-11-13(12-17-6-3)7-8-14(15)16/h7-8,11,17H,4-6,9-10,12H2,1-3H3
InChIKeyZZSPSXVXDQOLRI-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline
CID 84753345
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline
CID 43281781
3-[N-ethyl-5-(ethylaminomethyl)-2-fluoroanilino]propanoic acid
CID 84754002
3-[2-fluoro-5-[(propan-2-ylamino)methyl]-N-propylanilino]propanoic acid
CID 84754015
2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline
CID 84753353
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid
CID 84753673
3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
CID 84753642
N-butyl-N-ethyl-2-fluoro-5-[(prop-2-enylamino)methyl]aniline
CID 84753418
4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline
CID 114847374
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
3-[2-ethoxy-4-(ethylaminomethyl)-N-propylanilino]propanoic acid
CID 84749909

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline?
The IUPAC name of 5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline (CID 84753347) is 5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline.
What is the SMILES notation for 5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline?
The canonical SMILES for 5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline is CCCN(CCC)c1cc(CNCC)ccc1F.
What is the InChIKey of 5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline?
The InChIKey is ZZSPSXVXDQOLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-4-9-18(10-5-2)15-11-13(12-17-6-3)7-8-14(15)16/h7-8,11,17H,4-6,9-10,12H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline?
5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline has a molecular weight of 252.38 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline is sourced from PubChem (CID 84753347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).