(1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine

C18H20FNO — CID 28623629

IUPAC(1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccc(CN[C@@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO/c1-3-12-21-18-10-4-15(5-11-18)13-20-14(2)16-6-8-17(19)9-7-16/h3-11,14,20H,1,12-13H2,2H3/t14-/m0/s1
InChIKeyWHDVILMLNQLIJV-AWEZNQCLSA-N
MW285.36 g/mol
LogP4.24
Rot. Bonds7

About (1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine

(1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine (PubChem CID 28623629) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
PubChem CID28623629
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name(1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccc(CN[C@@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO/c1-3-12-21-18-10-4-15(5-11-18)13-20-14(2)16-6-8-17(19)9-7-16/h3-11,14,20H,1,12-13H2,2H3/t14-/m0/s1
InChIKeyWHDVILMLNQLIJV-AWEZNQCLSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 54803868
1-(3-bromophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 43426685
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
(1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 28556156
(1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 81402794
N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182769
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
(1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 28623639
1-[1-(4-fluorophenyl)ethyl]-3-(4-prop-2-enoxyphenyl)thiourea
CID 133215356
(1R)-1-(4-fluorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437945

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine (CID 28623629) is (1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine is C=CCOc1ccc(CN[C@@H](C)c2ccc(F)cc2)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
The InChIKey is WHDVILMLNQLIJV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20FNO/c1-3-12-21-18-10-4-15(5-11-18)13-20-14(2)16-6-8-17(19)9-7-16/h3-11,14,20H,1,12-13H2,2H3/t14-/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
(1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine has a molecular weight of 285.36 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 28623629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).