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

C12H19FN2 — CID 84753813

IUPAC2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1ccc(F)c(N(C)C)c1
InChIInChI=1S/C12H19FN2/c1-9(2)14-8-10-5-6-11(13)12(7-10)15(3)4/h5-7,9,14H,8H2,1-4H3
InChIKeyOQMWEVPTMMRURB-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.39
Rot. Bonds4

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

2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline (PubChem CID 84753813) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
PubChem CID84753813
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1ccc(F)c(N(C)C)c1
InChIInChI=1S/C12H19FN2/c1-9(2)14-8-10-5-6-11(13)12(7-10)15(3)4/h5-7,9,14H,8H2,1-4H3
InChIKeyOQMWEVPTMMRURB-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.39
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
3-[2-fluoro-5-[(propan-2-ylamino)methyl]-N-propylanilino]propanoic acid
CID 84754015
N-[[3-(2,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61033377
N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 43281747
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
2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
CID 62434557
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107454209
2-[2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]anilino]-N,N-dimethylacetamide
CID 43375206
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 107455111
2-fluoro-5-[(propan-2-ylamino)methyl]benzoic acid
CID 117222086

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of 2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline (CID 84753813) is 2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for 2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline is CC(C)NCc1ccc(F)c(N(C)C)c1.
What is the InChIKey of 2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline?
The InChIKey is OQMWEVPTMMRURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9(2)14-8-10-5-6-11(13)12(7-10)15(3)4/h5-7,9,14H,8H2,1-4H3.
What are the key properties of 2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline?
2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline has a molecular weight of 210.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 84753813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).