2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline

C16H27FN2 — CID 84753345

IUPAC2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline
SMILESCCCN(CCC)c1cc(CNC(C)C)ccc1F
InChIInChI=1S/C16H27FN2/c1-5-9-19(10-6-2)16-11-14(7-8-15(16)17)12-18-13(3)4/h7-8,11,13,18H,5-6,9-10,12H2,1-4H3
InChIKeyLOBYTCYFCMAORZ-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.95
Rot. Bonds8

About 2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline

2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline (PubChem CID 84753345) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline.

Molecular Properties

Compound Name2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline
PubChem CID84753345
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline
SMILESCCCN(CCC)c1cc(CNC(C)C)ccc1F
InChIInChI=1S/C16H27FN2/c1-5-9-19(10-6-2)16-11-14(7-8-15(16)17)12-18-13(3)4/h7-8,11,13,18H,5-6,9-10,12H2,1-4H3
InChIKeyLOBYTCYFCMAORZ-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-fluoro-5-[(propan-2-ylamino)methyl]-N-propylanilino]propanoic acid
CID 84754015
2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
CID 84753813
5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline
CID 84753347
4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline
CID 84750211
2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline
CID 84753353
2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol
CID 63075915
N-[[3-(2,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61033377
N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 55070316
N-(cyclobutylmethyl)-N-ethyl-2-fluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399971
N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine
CID 62491870
N-[(3-ethynyl-4-fluorophenyl)methyl]propan-2-amine
CID 130535101
2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline
CID 43296099

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline?
The IUPAC name of 2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline (CID 84753345) is 2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline.
What is the SMILES notation for 2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline?
The canonical SMILES for 2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline is CCCN(CCC)c1cc(CNC(C)C)ccc1F.
What is the InChIKey of 2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline?
The InChIKey is LOBYTCYFCMAORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-5-9-19(10-6-2)16-11-14(7-8-15(16)17)12-18-13(3)4/h7-8,11,13,18H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline?
2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline has a molecular weight of 266.40 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline is sourced from PubChem (CID 84753345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).