N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine

C18H22FNO — CID 23824143

IUPACN-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)NCCc2ccccc2F)cc1
InChIInChI=1S/C18H22FNO/c1-14(13-15-7-9-17(21-2)10-8-15)20-12-11-16-5-3-4-6-18(16)19/h3-10,14,20H,11-13H2,1-2H3
InChIKeyWVYJFHFSAVTSMH-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.60
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine

N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine (PubChem CID 23824143) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
PubChem CID23824143
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)NCCc2ccccc2F)cc1
InChIInChI=1S/C18H22FNO/c1-14(13-15-7-9-17(21-2)10-8-15)20-12-11-16-5-3-4-6-18(16)19/h3-10,14,20H,11-13H2,1-2H3
InChIKeyWVYJFHFSAVTSMH-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
1-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 103910225
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine
CID 1378355
1-(2-fluorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373072
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63226596
4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol
CID 114829509
methyl 3-[2-(2-fluorophenyl)ethylamino]butanoate
CID 43536690
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine (CID 23824143) is N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine is COc1ccc(CC(C)NCCc2ccccc2F)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine?
The InChIKey is WVYJFHFSAVTSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-14(13-15-7-9-17(21-2)10-8-15)20-12-11-16-5-3-4-6-18(16)19/h3-10,14,20H,11-13H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine?
N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 23824143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).