N-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine

C19H24FNO — CID 14901820

IUPACN-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine
SMILESCCN(CCc1ccccc1)CCc1ccc(F)c(OC)c1
InChIInChI=1S/C19H24FNO/c1-3-21(13-11-16-7-5-4-6-8-16)14-12-17-9-10-18(20)19(15-17)22-2/h4-10,15H,3,11-14H2,1-2H3
InChIKeyXEACLOYEONJHFH-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.94
Rot. Bonds8

About N-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine

N-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine (PubChem CID 14901820) has the molecular formula C19H24FNO and a molecular weight of 301.41 g/mol. Its IUPAC name is N-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine
PubChem CID14901820
Molecular FormulaC19H24FNO
Molecular Weight301.41 g/mol
Exact Mass301.18
IUPAC NameN-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine
SMILESCCN(CCc1ccccc1)CCc1ccc(F)c(OC)c1
InChIInChI=1S/C19H24FNO/c1-3-21(13-11-16-7-5-4-6-8-16)14-12-17-9-10-18(20)19(15-17)22-2/h4-10,15H,3,11-14H2,1-2H3
InChIKeyXEACLOYEONJHFH-UHFFFAOYSA-N
XLogP3.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxy-3-phenethoxyphenethyl)-N-propylpropan-1-amine
CID 9841596
4-Methoxy-3-(2-phenylethoxy)-N,N-dipropylbenzeneethanamine hydrochloride (1:1)
CID 9952420
Amotriphene
CID 11283
N,N-bis(3,4-dimethoxyphenethyl)-N-methylamine
CID 5714
3-(2-Pyrrolidin-1-ylethyl)anisole
CID 18365007
1-(3-Methoxybenzyl)-4-(3-phenylpropyl)piperazine
CID 751070
N-[2-[3-[2-(4-fluorophenyl)ethoxy]-4-methoxyphenyl]ethyl]-N-propylpropan-1-amine;hydrochloride
CID 18986856
4-[5-(3-Methylphenoxy)pentyl]morpholine
CID 2202905
2,5-Dimethoxy-N,N,alpha-trimethylbenzeneethanamine
CID 114458
Pvw7chp4CL
CID 116481
1,2,3,4-Tetrahydro-8-methoxy-N,N-dipropyl-2-naphthalenamine
CID 193381
N,N-Dimethyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine
CID 9957437

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine?
The IUPAC name of N-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine (CID 14901820) is N-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine.
What is the SMILES notation for N-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine?
The canonical SMILES for N-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine is CCN(CCc1ccccc1)CCc1ccc(F)c(OC)c1.
What is the InChIKey of N-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine?
The InChIKey is XEACLOYEONJHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO/c1-3-21(13-11-16-7-5-4-6-8-16)14-12-17-9-10-18(20)19(15-17)22-2/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of N-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine?
N-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine has a molecular weight of 301.41 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine is sourced from PubChem (CID 14901820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).