N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine

C18H23FN2 — CID 43203767

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NCc1ccccc1CN(C)C)c1ccccc1F
InChIInChI=1S/C18H23FN2/c1-14(17-10-6-7-11-18(17)19)20-12-15-8-4-5-9-16(15)13-21(2)3/h4-11,14,20H,12-13H2,1-3H3
InChIKeyMBJUFNFNRBGQEC-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.74
Rot. Bonds6

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 43203767) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine
PubChem CID43203767
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NCc1ccccc1CN(C)C)c1ccccc1F
InChIInChI=1S/C18H23FN2/c1-14(17-10-6-7-11-18(17)19)20-12-15-8-4-5-9-16(15)13-21(2)3/h4-11,14,20H,12-13H2,1-3H3
InChIKeyMBJUFNFNRBGQEC-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 43178075
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379917
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380739
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121384
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83118923
2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
CID 103940685
1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62985620
2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile
CID 103912410
2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine
CID 103387459
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380519

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine (CID 43203767) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine is CC(NCc1ccccc1CN(C)C)c1ccccc1F.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is MBJUFNFNRBGQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-14(17-10-6-7-11-18(17)19)20-12-15-8-4-5-9-16(15)13-21(2)3/h4-11,14,20H,12-13H2,1-3H3.
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine has a molecular weight of 286.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 43203767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).