perchloric acid;2-phenylethanamine

C8H12ClNO4 — CID 71364418

IUPACperchloric acid;2-phenylethanamine
SMILESNCCc1ccccc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C8H11N.ClHO4/c9-7-6-8-4-2-1-3-5-8;2-1(3,4)5/h1-5H,6-7,9H2;(H,2,3,4,5)
InChIKeyUWVTVXVAMVDPNF-UHFFFAOYSA-N
MW221.64 g/mol
LogP-2.94
Rot. Bonds2

About perchloric acid;2-phenylethanamine

perchloric acid;2-phenylethanamine (PubChem CID 71364418) has the molecular formula C8H12ClNO4 and a molecular weight of 221.64 g/mol. Its IUPAC name is perchloric acid;2-phenylethanamine.

Molecular Properties

Compound Nameperchloric acid;2-phenylethanamine
PubChem CID71364418
Molecular FormulaC8H12ClNO4
Molecular Weight221.64 g/mol
Exact Mass221.05
IUPAC Nameperchloric acid;2-phenylethanamine
SMILESNCCc1ccccc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C8H11N.ClHO4/c9-7-6-8-4-2-1-3-5-8;2-1(3,4)5/h1-5H,6-7,9H2;(H,2,3,4,5)
InChIKeyUWVTVXVAMVDPNF-UHFFFAOYSA-N
XLogP-2.94
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 5-2.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

azane;2-phenylethanamine
CID 23506485
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
hydroxy(oxo)phosphanium;2-phenylethanamine
CID 173363711
formic acid;2-phenylethanamine
CID 174535099
dichlorocopper;2-phenylethanamine;hydrochloride
CID 174793680
N,N-diethylethanamine;2-phenylethanamine
CID 67440073
benzene;3-phenylpropan-1-amine
CID 174865683
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
[4-(2-aminoethyl)phenyl]-phenylmethanone
CID 14368635
2-[3-(2-aminoethyl)phenyl]ethanol
CID 2749894
benzene;2-phenylethylbenzene
CID 18982764

Frequently Asked Questions

What is the IUPAC name of perchloric acid;2-phenylethanamine?
The IUPAC name of perchloric acid;2-phenylethanamine (CID 71364418) is perchloric acid;2-phenylethanamine.
What is the SMILES notation for perchloric acid;2-phenylethanamine?
The canonical SMILES for perchloric acid;2-phenylethanamine is NCCc1ccccc1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of perchloric acid;2-phenylethanamine?
The InChIKey is UWVTVXVAMVDPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.ClHO4/c9-7-6-8-4-2-1-3-5-8;2-1(3,4)5/h1-5H,6-7,9H2;(H,2,3,4,5).
What are the key properties of perchloric acid;2-phenylethanamine?
perchloric acid;2-phenylethanamine has a molecular weight of 221.64 g/mol, XLogP of -2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for perchloric acid;2-phenylethanamine is sourced from PubChem (CID 71364418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).