(E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine

C12H15ClFN — CID 106437925

IUPAC(E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC/C(=C\Cl)CN[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C12H15ClFN/c1-9(7-13)8-15-10(2)11-3-5-12(14)6-4-11/h3-7,10,15H,8H2,1-2H3/b9-7+/t10-/m1/s1
InChIKeyCGVQQNMRLXDJGB-TTZKWOQHSA-N
MW227.71 g/mol
LogP3.62
Rot. Bonds4

About (E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine

(E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine (PubChem CID 106437925) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is (E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine
PubChem CID106437925
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name(E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC/C(=C\Cl)CN[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C12H15ClFN/c1-9(7-13)8-15-10(2)11-3-5-12(14)6-4-11/h3-7,10,15H,8H2,1-2H3/b9-7+/t10-/m1/s1
InChIKeyCGVQQNMRLXDJGB-TTZKWOQHSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 106437933
2-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 81348608
(E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 103912541
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214641
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328410
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
N-[1-(4-fluorophenyl)ethyl]-3-methylbut-3-en-1-amine
CID 114449108
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 96938323
(Z)-4-[1-(4-fluorophenyl)ethylamino]-2-methylbut-2-enoic acid
CID 103244269
N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine
CID 60887762

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine?
The IUPAC name of (E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine (CID 106437925) is (E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for (E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine is C/C(=C\Cl)CN[C@H](C)c1ccc(F)cc1.
What is the InChIKey of (E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine?
The InChIKey is CGVQQNMRLXDJGB-TTZKWOQHSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-9(7-13)8-15-10(2)11-3-5-12(14)6-4-11/h3-7,10,15H,8H2,1-2H3/b9-7+/t10-/m1/s1.
What are the key properties of (E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine?
(E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine has a molecular weight of 227.71 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 106437925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).