2-(4-fluorophenyl)ethanamine;trans-(1S,2R)-2-phenylcyclopropan-1-amine;hydrochloride

C17H22ClFN2 — CID 154961449

IUPAC2-(4-fluorophenyl)ethanamine;trans-(1S,2R)-2-phenylcyclopropan-1-amine;hydrochloride
SMILESCl.NCCc1ccc(F)cc1.N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C9H11N.C8H10FN.ClH/c10-9-6-8(9)7-4-2-1-3-5-7;9-8-3-1-7(2-4-8)5-6-10;/h1-5,8-9H,6,10H2;1-4H,5-6,10H2;1H/t8-,9+;;/m1../s1
InChIKeyWGCVFXFGFDNVES-BPRGXCPLSA-N
MW308.83 g/mol
LogP3.25
Rot. Bonds3

About 2-(4-fluorophenyl)ethanamine;trans-(1S,2R)-2-phenylcyclopropan-1-amine;hydrochloride

2-(4-fluorophenyl)ethanamine;trans-(1S,2R)-2-phenylcyclopropan-1-amine;hydrochloride (PubChem CID 154961449) has the molecular formula C17H22ClFN2 and a molecular weight of 308.83 g/mol. Its IUPAC name is 2-(4-fluorophenyl)ethanamine;trans-(1S,2R)-2-phenylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)ethanamine;trans-(1S,2R)-2-phenylcyclopropan-1-amine;hydrochloride
PubChem CID154961449
Molecular FormulaC17H22ClFN2
Molecular Weight308.83 g/mol
Exact Mass308.15
IUPAC Name2-(4-fluorophenyl)ethanamine;trans-(1S,2R)-2-phenylcyclopropan-1-amine;hydrochloride
SMILESCl.NCCc1ccc(F)cc1.N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C9H11N.C8H10FN.ClH/c10-9-6-8(9)7-4-2-1-3-5-7;9-8-3-1-7(2-4-8)5-6-10;/h1-5,8-9H,6,10H2;1-4H,5-6,10H2;1H/t8-,9+;;/m1../s1
InChIKeyWGCVFXFGFDNVES-BPRGXCPLSA-N
XLogP3.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
CID 76967138
2-phenylethylhydrazine;trans-(1R,2S)-2-phenylcyclopropan-1-amine
CID 67382394
trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 46869734
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
CID 75994277
CID 75994277
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 120760922
acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
CID 22216545
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanamine
CID 68928221
N-[2-(4-fluorophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632093
2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
CID 159213870
azane;2-phenylethanamine
CID 23506485

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)ethanamine;trans-(1S,2R)-2-phenylcyclopropan-1-amine;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)ethanamine;trans-(1S,2R)-2-phenylcyclopropan-1-amine;hydrochloride (CID 154961449) is 2-(4-fluorophenyl)ethanamine;trans-(1S,2R)-2-phenylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)ethanamine;trans-(1S,2R)-2-phenylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)ethanamine;trans-(1S,2R)-2-phenylcyclopropan-1-amine;hydrochloride is Cl.NCCc1ccc(F)cc1.N[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)ethanamine;trans-(1S,2R)-2-phenylcyclopropan-1-amine;hydrochloride?
The InChIKey is WGCVFXFGFDNVES-BPRGXCPLSA-N. The full InChI is InChI=1S/C9H11N.C8H10FN.ClH/c10-9-6-8(9)7-4-2-1-3-5-7;9-8-3-1-7(2-4-8)5-6-10;/h1-5,8-9H,6,10H2;1-4H,5-6,10H2;1H/t8-,9+;;/m1../s1.
What are the key properties of 2-(4-fluorophenyl)ethanamine;trans-(1S,2R)-2-phenylcyclopropan-1-amine;hydrochloride?
2-(4-fluorophenyl)ethanamine;trans-(1S,2R)-2-phenylcyclopropan-1-amine;hydrochloride has a molecular weight of 308.83 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)ethanamine;trans-(1S,2R)-2-phenylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 154961449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).