1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorophenyl]-N-methylethanamine

C19H25FN2O — CID 110447834

IUPAC1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)c(-c2ccc(OCCN(C)C)cc2)c1
InChIInChI=1S/C19H25FN2O/c1-14(21-2)16-7-10-19(20)18(13-16)15-5-8-17(9-6-15)23-12-11-22(3)4/h5-10,13-14,21H,11-12H2,1-4H3
InChIKeyBSHNWQJEFXBZFF-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.71
Rot. Bonds7

About 1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorophenyl]-N-methylethanamine

1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorophenyl]-N-methylethanamine (PubChem CID 110447834) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorophenyl]-N-methylethanamine
PubChem CID110447834
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)c(-c2ccc(OCCN(C)C)cc2)c1
InChIInChI=1S/C19H25FN2O/c1-14(21-2)16-7-10-19(20)18(13-16)15-5-8-17(9-6-15)23-12-11-22(3)4/h5-10,13-14,21H,11-12H2,1-4H3
InChIKeyBSHNWQJEFXBZFF-UHFFFAOYSA-N
XLogP3.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorobenzaldehyde
CID 39233423
4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol
CID 82540521
1-[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]-N-methylpropan-2-amine
CID 110447832
(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol
CID 107720300
1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293
3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 43285961
1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716917
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217
N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide
CID 54879263
1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine
CID 110447799
N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine
CID 43280026
1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine
CID 43554825

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorophenyl]-N-methylethanamine (CID 110447834) is 1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorophenyl]-N-methylethanamine is CNC(C)c1ccc(F)c(-c2ccc(OCCN(C)C)cc2)c1.
What is the InChIKey of 1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorophenyl]-N-methylethanamine?
The InChIKey is BSHNWQJEFXBZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O/c1-14(21-2)16-7-10-19(20)18(13-16)15-5-8-17(9-6-15)23-12-11-22(3)4/h5-10,13-14,21H,11-12H2,1-4H3.
What are the key properties of 1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorophenyl]-N-methylethanamine?
1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorophenyl]-N-methylethanamine has a molecular weight of 316.42 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 110447834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).