3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline

C17H21FN2 — CID 43688866

IUPAC3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline
SMILESCC(Nc1cccc(CN(C)C)c1)c1cccc(F)c1
InChIInChI=1S/C17H21FN2/c1-13(15-7-5-8-16(18)11-15)19-17-9-4-6-14(10-17)12-20(2)3/h4-11,13,19H,12H2,1-3H3
InChIKeyQKLKUOOGJQVCRR-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.06
Rot. Bonds5

About 3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline

3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline (PubChem CID 43688866) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline
PubChem CID43688866
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline
SMILESCC(Nc1cccc(CN(C)C)c1)c1cccc(F)c1
InChIInChI=1S/C17H21FN2/c1-13(15-7-5-8-16(18)11-15)19-17-9-4-6-14(10-17)12-20(2)3/h4-11,13,19H,12H2,1-3H3
InChIKeyQKLKUOOGJQVCRR-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline
CID 100694884
1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376525
3-[1-[3-[(dimethylamino)methyl]phenyl]ethylamino]benzonitrile
CID 126821703
3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline
CID 43688829
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
N-[1-(3-fluorophenyl)ethyl]-3-(2-methylpropoxy)aniline
CID 63449892
3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43178604
2-[3-[(dimethylamino)methyl]anilino]propanoic acid
CID 66173910
3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline
CID 115918712
3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline
CID 114228156

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline (CID 43688866) is 3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline is CC(Nc1cccc(CN(C)C)c1)c1cccc(F)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline?
The InChIKey is QKLKUOOGJQVCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-13(15-7-5-8-16(18)11-15)19-17-9-4-6-14(10-17)12-20(2)3/h4-11,13,19H,12H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline?
3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline has a molecular weight of 272.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 43688866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).