(1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine

C11H14FN — CID 90415150

IUPAC(1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine
SMILESC=C(C)c1ccc([C@H](C)N)c(F)c1
InChIInChI=1S/C11H14FN/c1-7(2)9-4-5-10(8(3)13)11(12)6-9/h4-6,8H,1,13H2,2-3H3/t8-/m0/s1
InChIKeyGSNYFQFDTQCELI-QMMMGPOBSA-N
MW179.24 g/mol
LogP2.88
Rot. Bonds2

About (1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine

(1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine (PubChem CID 90415150) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine
PubChem CID90415150
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine
SMILESC=C(C)c1ccc([C@H](C)N)c(F)c1
InChIInChI=1S/C11H14FN/c1-7(2)9-4-5-10(8(3)13)11(12)6-9/h4-6,8H,1,13H2,2-3H3/t8-/m0/s1
InChIKeyGSNYFQFDTQCELI-QMMMGPOBSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-4-propan-2-ylphenyl)ethanamine
CID 131378718
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 71074659
2-fluoro-1-methoxy-4-prop-1-en-2-ylbenzene
CID 64665544
4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline
CID 83383940
1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288733
(3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-2-amine
CID 144510349
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
2-fluoro-4-prop-1-en-2-ylbenzaldehyde
CID 88914678
1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
CID 131609611
1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine
CID 79180085
3-[(1R)-1-aminoethyl]-5-fluoro-4-hydroxybenzoic acid
CID 55274678
2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene
CID 155472911

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine?
The IUPAC name of (1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine (CID 90415150) is (1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine?
The canonical SMILES for (1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine is C=C(C)c1ccc([C@H](C)N)c(F)c1.
What is the InChIKey of (1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine?
The InChIKey is GSNYFQFDTQCELI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14FN/c1-7(2)9-4-5-10(8(3)13)11(12)6-9/h4-6,8H,1,13H2,2-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine?
(1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine has a molecular weight of 179.24 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine is sourced from PubChem (CID 90415150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).