2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline

C16H19FN2O — CID 63786185

IUPAC2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline
SMILESCOc1cccc(N(C)c2ccc(F)cc2CCN)c1
InChIInChI=1S/C16H19FN2O/c1-19(14-4-3-5-15(11-14)20-2)16-7-6-13(17)10-12(16)8-9-18/h3-7,10-11H,8-9,18H2,1-2H3
InChIKeyLCIZGMQUKWVHQO-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.10
Rot. Bonds5

About 2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline

2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline (PubChem CID 63786185) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline
PubChem CID63786185
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline
SMILESCOc1cccc(N(C)c2ccc(F)cc2CCN)c1
InChIInChI=1S/C16H19FN2O/c1-19(14-4-3-5-15(11-14)20-2)16-7-6-13(17)10-12(16)8-9-18/h3-7,10-11H,8-9,18H2,1-2H3
InChIKeyLCIZGMQUKWVHQO-UHFFFAOYSA-N
XLogP3.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 63785861
4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline
CID 55207807
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 171329064
[4-fluoro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769897
2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide
CID 79519487
1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 62135493
[5-fluoro-2-(N-methylanilino)phenyl]methanol
CID 43313086
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
CID 63110478
N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline
CID 63786695
2-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107700182

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline?
The IUPAC name of 2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline (CID 63786185) is 2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline?
The canonical SMILES for 2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline is COc1cccc(N(C)c2ccc(F)cc2CCN)c1.
What is the InChIKey of 2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline?
The InChIKey is LCIZGMQUKWVHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-19(14-4-3-5-15(11-14)20-2)16-7-6-13(17)10-12(16)8-9-18/h3-7,10-11H,8-9,18H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline?
2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline has a molecular weight of 274.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline is sourced from PubChem (CID 63786185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).