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

C18H22FNO — CID 81389010

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1ccccc1OC)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO/c1-4-17(14-9-11-15(19)12-10-14)20-13(2)16-7-5-6-8-18(16)21-3/h5-13,17,20H,4H2,1-3H3/t13-,17?/m0/s1
InChIKeyPMXRJYKRQACXQQ-CWQZNGJJSA-N
MW287.38 g/mol
LogP4.64
Rot. Bonds6

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

1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 81389010) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
PubChem CID81389010
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1ccccc1OC)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO/c1-4-17(14-9-11-15(19)12-10-14)20-13(2)16-7-5-6-8-18(16)21-3/h5-13,17,20H,4H2,1-3H3/t13-,17?/m0/s1
InChIKeyPMXRJYKRQACXQQ-CWQZNGJJSA-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

N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
CID 43680068
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine
CID 43724000
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837
N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43693470
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81349240
3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-3-phenylpropanenitrile
CID 81390162
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol
CID 43201977
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43766762

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine (CID 81389010) is 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine is CCC(N[C@@H](C)c1ccccc1OC)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is PMXRJYKRQACXQQ-CWQZNGJJSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-17(14-9-11-15(19)12-10-14)20-13(2)16-7-5-6-8-18(16)21-3/h5-13,17,20H,4H2,1-3H3/t13-,17?/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine?
1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-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 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 81389010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).