N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine

C18H22FNO — CID 43724000

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine
SMILESCCC(NC(C)c1ccc(OC)c(F)c1)c1ccccc1
InChIInChI=1S/C18H22FNO/c1-4-17(14-8-6-5-7-9-14)20-13(2)15-10-11-18(21-3)16(19)12-15/h5-13,17,20H,4H2,1-3H3
InChIKeyWIPNLKTUDAXPKE-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.64
Rot. Bonds6

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine (PubChem CID 43724000) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine
PubChem CID43724000
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine
SMILESCCC(NC(C)c1ccc(OC)c(F)c1)c1ccccc1
InChIInChI=1S/C18H22FNO/c1-4-17(14-8-6-5-7-9-14)20-13(2)15-10-11-18(21-3)16(19)12-15/h5-13,17,20H,4H2,1-3H3
InChIKeyWIPNLKTUDAXPKE-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788710
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol
CID 62304525
1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81389010
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042
(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350630
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
1-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976045
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 9051417
(2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788667

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine (CID 43724000) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine is CCC(NC(C)c1ccc(OC)c(F)c1)c1ccccc1.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine?
The InChIKey is WIPNLKTUDAXPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-17(14-8-6-5-7-9-14)20-13(2)15-10-11-18(21-3)16(19)12-15/h5-13,17,20H,4H2,1-3H3.
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 43724000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).