(3-fluorophenyl)methyl-[(1R,2S)-2-phenylcyclopropyl]azanium chloride

C16H17ClFN — CID 87082724

IUPAC(3-fluorophenyl)methyl-[(1R,2S)-2-phenylcyclopropyl]azanium chloride
SMILESFc1cccc(C[NH2+][C@@H]2C[C@H]2c2ccccc2)c1.[Cl-]
InChIInChI=1S/C16H16FN.ClH/c17-14-8-4-5-12(9-14)11-18-16-10-15(16)13-6-2-1-3-7-13;/h1-9,15-16,18H,10-11H2;1H/t15-,16+;/m0./s1
InChIKeyZAMCKGRHWXHNRL-IDVLALEDSA-N
MW277.77 g/mol
LogP-0.55
Rot. Bonds4

About (3-fluorophenyl)methyl-[(1R,2S)-2-phenylcyclopropyl]azanium chloride

(3-fluorophenyl)methyl-[(1R,2S)-2-phenylcyclopropyl]azanium chloride (PubChem CID 87082724) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is (3-fluorophenyl)methyl-[(1R,2S)-2-phenylcyclopropyl]azanium chloride.

Molecular Properties

Compound Name(3-fluorophenyl)methyl-[(1R,2S)-2-phenylcyclopropyl]azanium chloride
PubChem CID87082724
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name(3-fluorophenyl)methyl-[(1R,2S)-2-phenylcyclopropyl]azanium chloride
SMILESFc1cccc(C[NH2+][C@@H]2C[C@H]2c2ccccc2)c1.[Cl-]
InChIInChI=1S/C16H16FN.ClH/c17-14-8-4-5-12(9-14)11-18-16-10-15(16)13-6-2-1-3-7-13;/h1-9,15-16,18H,10-11H2;1H/t15-,16+;/m0./s1
InChIKeyZAMCKGRHWXHNRL-IDVLALEDSA-N
XLogP-0.55
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(1R,2S)-N-[[1,1-bis[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 66571361
3-(3-fluorophenyl)-2-phosphonopropanoic acid
CID 152753781
3-(3-fluorophenyl)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 63010559
(3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one
CID 135364827
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone;hydrochloride
CID 120749905
(3-fluorophenyl)-phenyliodanium
CID 14290166
1-(2-benzyl-3-bromopropyl)-3-fluorobenzene
CID 66047635
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
[(3R,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120766211
(2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine
CID 101397690
magnesium;1-ethyl-3-fluorobenzene;bromide
CID 24722724
[2-(3-fluorophenyl)cyclopropyl]methanol
CID 53275735

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl-[(1R,2S)-2-phenylcyclopropyl]azanium chloride?
The IUPAC name of (3-fluorophenyl)methyl-[(1R,2S)-2-phenylcyclopropyl]azanium chloride (CID 87082724) is (3-fluorophenyl)methyl-[(1R,2S)-2-phenylcyclopropyl]azanium chloride.
What is the SMILES notation for (3-fluorophenyl)methyl-[(1R,2S)-2-phenylcyclopropyl]azanium chloride?
The canonical SMILES for (3-fluorophenyl)methyl-[(1R,2S)-2-phenylcyclopropyl]azanium chloride is Fc1cccc(C[NH2+][C@@H]2C[C@H]2c2ccccc2)c1.[Cl-].
What is the InChIKey of (3-fluorophenyl)methyl-[(1R,2S)-2-phenylcyclopropyl]azanium chloride?
The InChIKey is ZAMCKGRHWXHNRL-IDVLALEDSA-N. The full InChI is InChI=1S/C16H16FN.ClH/c17-14-8-4-5-12(9-14)11-18-16-10-15(16)13-6-2-1-3-7-13;/h1-9,15-16,18H,10-11H2;1H/t15-,16+;/m0./s1.
What are the key properties of (3-fluorophenyl)methyl-[(1R,2S)-2-phenylcyclopropyl]azanium chloride?
(3-fluorophenyl)methyl-[(1R,2S)-2-phenylcyclopropyl]azanium chloride has a molecular weight of 277.77 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl-[(1R,2S)-2-phenylcyclopropyl]azanium chloride is sourced from PubChem (CID 87082724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).