3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline

C18H23FN2 — CID 62461622

IUPAC3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
SMILESCC(C)NCc1ccccc1CN(C)c1cccc(F)c1
InChIInChI=1S/C18H23FN2/c1-14(2)20-12-15-7-4-5-8-16(15)13-21(3)18-10-6-9-17(19)11-18/h4-11,14,20H,12-13H2,1-3H3
InChIKeyFLSSSGYNGHESNN-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.96
Rot. Bonds6

About 3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline

3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline (PubChem CID 62461622) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
PubChem CID62461622
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
SMILESCC(C)NCc1ccccc1CN(C)c1cccc(F)c1
InChIInChI=1S/C18H23FN2/c1-14(2)20-12-15-7-4-5-8-16(15)13-21(3)18-10-6-9-17(19)11-18/h4-11,14,20H,12-13H2,1-3H3
InChIKeyFLSSSGYNGHESNN-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol
CID 112616216
4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline
CID 43313686
methyl 2-[(3-fluoro-N-methylanilino)methyl]benzoate
CID 82969804
N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline
CID 62434976
N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine
CID 62417579
N-ethyl-3-[(3-fluoro-N-methylanilino)methyl]pyridin-2-amine
CID 62466616
N-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline
CID 65325822
N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63551208
N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine
CID 62434377
3-fluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline
CID 62019120
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline
CID 62435493
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline?
The IUPAC name of 3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline (CID 62461622) is 3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline.
What is the SMILES notation for 3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline?
The canonical SMILES for 3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline is CC(C)NCc1ccccc1CN(C)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline?
The InChIKey is FLSSSGYNGHESNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-14(2)20-12-15-7-4-5-8-16(15)13-21(3)18-10-6-9-17(19)11-18/h4-11,14,20H,12-13H2,1-3H3.
What are the key properties of 3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline?
3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline has a molecular weight of 286.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline is sourced from PubChem (CID 62461622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).