2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline

C16H19FN2 — CID 43750090

IUPAC2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline
SMILESCN(C)Cc1ccccc1NCc1cccc(F)c1
InChIInChI=1S/C16H19FN2/c1-19(2)12-14-7-3-4-9-16(14)18-11-13-6-5-8-15(17)10-13/h3-10,18H,11-12H2,1-2H3
InChIKeyFQVFKNVAABECKF-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.50
Rot. Bonds5

About 2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline

2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline (PubChem CID 43750090) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline
PubChem CID43750090
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline
SMILESCN(C)Cc1ccccc1NCc1cccc(F)c1
InChIInChI=1S/C16H19FN2/c1-19(2)12-14-7-3-4-9-16(14)18-11-13-6-5-8-15(17)10-13/h3-10,18H,11-12H2,1-2H3
InChIKeyFQVFKNVAABECKF-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline
CID 43435902
N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 43750094
N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 106816557
N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline
CID 115523780
2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 28970511
N-[(3-bromo-4-methoxyphenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 43792047
1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol
CID 54962584
2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749132
3-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]aniline
CID 28879731
4-bromo-2-N-[(3-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43231812
2-[(dimethylamino)methyl]-N-[(4-nitrophenyl)methyl]aniline
CID 43750052
3-[[2-(diethylaminomethyl)anilino]methyl]phenol
CID 43729325

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline (CID 43750090) is 2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline is CN(C)Cc1ccccc1NCc1cccc(F)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline?
The InChIKey is FQVFKNVAABECKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-19(2)12-14-7-3-4-9-16(14)18-11-13-6-5-8-15(17)10-13/h3-10,18H,11-12H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline?
2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline has a molecular weight of 258.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline is sourced from PubChem (CID 43750090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).