1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine

C16H19FN2 — CID 115376525

IUPAC1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCC(Nc1cccc(N(C)C)c1)c1cccc(F)c1
InChIInChI=1S/C16H19FN2/c1-12(13-6-4-7-14(17)10-13)18-15-8-5-9-16(11-15)19(2)3/h4-12,18H,1-3H3
InChIKeyGQTJIYWNMHHYJA-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.06
Rot. Bonds4

About 1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 115376525) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID115376525
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCC(Nc1cccc(N(C)C)c1)c1cccc(F)c1
InChIInChI=1S/C16H19FN2/c1-12(13-6-4-7-14(17)10-13)18-15-8-5-9-16(11-15)19(2)3/h4-12,18H,1-3H3
InChIKeyGQTJIYWNMHHYJA-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376255
3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43688866
1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375943
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43178604
4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline
CID 100694884
1-N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82964058
N-[1-(3-fluorophenyl)ethyl]-3-(2-methylpropoxy)aniline
CID 63449892
4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28682596
3-fluoro-N,N-dimethylaniline;methane
CID 157466440
N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine (CID 115376525) is 1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine is CC(Nc1cccc(N(C)C)c1)c1cccc(F)c1.
What is the InChIKey of 1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is GQTJIYWNMHHYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-12(13-6-4-7-14(17)10-13)18-15-8-5-9-16(11-15)19(2)3/h4-12,18H,1-3H3.
What are the key properties of 1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 258.34 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 115376525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).